N-(3-chlorophenyl)-4-cyano-1,3-thiazole-2-carboxamide

C11H6ClN3OS — CID 127038352

IUPACN-(3-chlorophenyl)-4-cyano-1,3-thiazole-2-carboxamide
SMILESN#Cc1csc(C(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C11H6ClN3OS/c12-7-2-1-3-8(4-7)14-10(16)11-15-9(5-13)6-17-11/h1-4,6H,(H,14,16)
InChIKeyVGWSRVOENFHQER-UHFFFAOYSA-N
MW263.71 g/mol
LogP2.92
Rot. Bonds2

About N-(3-chlorophenyl)-4-cyano-1,3-thiazole-2-carboxamide

N-(3-chlorophenyl)-4-cyano-1,3-thiazole-2-carboxamide (PubChem CID 127038352) has the molecular formula C11H6ClN3OS and a molecular weight of 263.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-cyano-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-cyano-1,3-thiazole-2-carboxamide
PubChem CID127038352
Molecular FormulaC11H6ClN3OS
Molecular Weight263.71 g/mol
Exact Mass262.99
IUPAC NameN-(3-chlorophenyl)-4-cyano-1,3-thiazole-2-carboxamide
SMILESN#Cc1csc(C(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C11H6ClN3OS/c12-7-2-1-3-8(4-7)14-10(16)11-15-9(5-13)6-17-11/h1-4,6H,(H,14,16)
InChIKeyVGWSRVOENFHQER-UHFFFAOYSA-N
XLogP2.92
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
6-N-(3-chlorophenyl)-2-N-(4-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100845
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
ethyl 4-[(3-chlorophenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697628
2-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092850
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109199236
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836
N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79695922
N-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110858903
2-[(3-chlorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948825
N-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide
CID 2475447

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-cyano-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-cyano-1,3-thiazole-2-carboxamide (CID 127038352) is N-(3-chlorophenyl)-4-cyano-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-cyano-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-cyano-1,3-thiazole-2-carboxamide is N#Cc1csc(C(=O)Nc2cccc(Cl)c2)n1.
What is the InChIKey of N-(3-chlorophenyl)-4-cyano-1,3-thiazole-2-carboxamide?
The InChIKey is VGWSRVOENFHQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3OS/c12-7-2-1-3-8(4-7)14-10(16)11-15-9(5-13)6-17-11/h1-4,6H,(H,14,16).
What are the key properties of N-(3-chlorophenyl)-4-cyano-1,3-thiazole-2-carboxamide?
N-(3-chlorophenyl)-4-cyano-1,3-thiazole-2-carboxamide has a molecular weight of 263.71 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-cyano-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 127038352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).