N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide

C12H8ClN3OS — CID 103799721

IUPACN-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C#N)cc2Cl)cs1
InChIInChI=1S/C12H8ClN3OS/c1-7-15-11(6-18-7)12(17)16-10-3-2-8(5-14)4-9(10)13/h2-4,6H,1H3,(H,16,17)
InChIKeyMPIHKRAOSLDGGR-UHFFFAOYSA-N
MW277.74 g/mol
LogP3.23
Rot. Bonds2

About N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide

N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 103799721) has the molecular formula C12H8ClN3OS and a molecular weight of 277.74 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID103799721
Molecular FormulaC12H8ClN3OS
Molecular Weight277.74 g/mol
Exact Mass277.01
IUPAC NameN-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C#N)cc2Cl)cs1
InChIInChI=1S/C12H8ClN3OS/c1-7-15-11(6-18-7)12(17)16-10-3-2-8(5-14)4-9(10)13/h2-4,6H,1H3,(H,16,17)
InChIKeyMPIHKRAOSLDGGR-UHFFFAOYSA-N
XLogP3.23
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 107810218
N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 107808615
5-chloro-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 103811024
N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 103799806
N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 103799813
3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 107143579
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 104848874
3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
CID 103799691
N-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103799786
N-(2-chloro-4-cyanophenyl)-1-benzothiophene-3-carboxamide
CID 103811101
2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 103799721) is N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(C#N)cc2Cl)cs1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is MPIHKRAOSLDGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3OS/c1-7-15-11(6-18-7)12(17)16-10-3-2-8(5-14)4-9(10)13/h2-4,6H,1H3,(H,16,17).
What are the key properties of N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 277.74 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103799721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).