TL;DR: 4-(1,2,5,6-Tetrahydro-1-(2-propen-1-yl)-3-pyridinyl)-2-thiazolamine (CAS 118373-81-2) is a chemical compound with molecular formula C11H15N3S and molecular weight 221.09866 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-5-yl)-1,3-thiazol-2-amine
Also Known As: PD 120697, starbld0007001, 4-(1,2,5,6-Tetrahydro-1-allyl-3-pyridinyl)-2-thiazolamine, 4-(1-allyl-1,2,5,6-tetrahydropyridin-3-yl)thiazol-2-amine, 2-Thiazolamine,4-[1,2,5,6-tetrahydro-1-(2-propen-1-yl)-3-pyridinyl]-
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H15N3S |
| Molecular Weight | 221.09866 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 70.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.09866 Da |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
| SMILES | C=CCN1CCC=C(C1)C2=CSC(=N2)N |
| InChIKey | JMEQXIANNKFBTB-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,2,5,6-Tetrahydro-1-(2-propen-1-yl)-3-pyridinyl)-2-thiazolamine. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,2,5,6-Tetrahydro-1-(2-propen-1-yl)-3-pyridinyl)-2-thiazolamine. Following Lipinski's Rule of Five, 4-(1,2,5,6-Tetrahydro-1-(2-propen-1-yl)-3-pyridinyl)-2-thiazolamine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-(1,2,5,6-Tetrahydro-1-(2-propen-1-yl)-3-pyridinyl)-2-thiazolamine is 118373-81-2.
The molecular formula of 4-(1,2,5,6-Tetrahydro-1-(2-propen-1-yl)-3-pyridinyl)-2-thiazolamine is C11H15N3S.
The molecular weight of 4-(1,2,5,6-Tetrahydro-1-(2-propen-1-yl)-3-pyridinyl)-2-thiazolamine is 221.09866 g/mol.
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