AC1NKAIJ structure

AC1NKAIJ

2-cyano-N-[3-[2-(4-fluorophenyl)ethyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide

Also Known As: (Z)-2-cyano-N-(3-(4-fluorophenethyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)acetamide|2-cyano-N-[(2Z)-3-[2-(4-fluorophenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide|2-cyano-N-[3-[2-(4-fluorophenyl)ethyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide|4-{1-[2-(4-fluorophenyl)ethyl]-5,5-dioxo(1,3,4,6,3a,6a-hexahydro-3,5-dithia-1- azapentalen-2-ylidene)}-3-oxo-4-azabutanenitrile

CAS: 902009-35-2
Molecular Formula C16H16FN3O3S2
Molecular Weight 381.0617 g/mol
LogP 1.37888
Topological Polar Surface Area 90.6 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 4
Exact Mass 381.0617
Monoisotopic Mass 381.0617
Heavy Atoms 25
Complexity 846.3711

Chemical Identifiers

CAS Number 902009-35-2
SMILES C1C2C(CS1(=O)=O)SC(=NC(=O)CC#N)N2CCC3=CC=C(C=C3)F

Product Overview

AC1NKAIJ (CAS 902009-35-2), with molecular formula C16H16FN3O3S2 and molecular weight 381.0617 g/mol. IUPAC: 2-cyano-N-[3-[2-(4-fluorophenyl)ethyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide.

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