2-(1-adamantyl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine

CAS: 72042-02-5

Molecular Formula	`C24H27N5S`
Molecular Weight	417.6 g/mol
LogP	5.3
Topological Polar Surface Area	90.4 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	417.19873
Heavy Atoms	30
Complexity	625.0

Chemical Identifiers

CAS Number	72042-02-5
SMILES	`CC1=NC2=CC=CC=C2C(=C1)NC(=NC34CC5CC(C3)CC(C5)C4)NC6=NC=CS6`
InChIKey	`WQLJPDHETNRRQI-UHFFFAOYSA-N`

📖 Product Overview

2-(1-adamantyl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine (CAS: 72042-02-5) is a chemical compound with molecular formula C24H27N5S and molecular weight 417.6 g/mol. Its IUPAC systematic name is 2-(1-adamantyl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine. LogP 5.3 Topological Polar Surface Area 90.4 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 417.19873 Heavy Atoms 30 Complexity 625.0 InChI Key: WQLJPDHETNRRQI-UHFFFAOYSA-N. SMILES: CC1=NC2=CC=CC=C2C(=C1)NC(=NC34CC5CC(C3)CC(C5)C4)NC6=NC=CS6.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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