N-(2-chloro-6-methylphenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrol-2-yl]-1,3-thiazole-5-carboxamide

C21H17ClN4OS — CID 57134090

IUPACN-(2-chloro-6-methylphenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrol-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(C2(c3ncc(C(=O)Nc4c(C)cccc4Cl)s3)C=CC=N2)n1
InChIInChI=1S/C21H17ClN4OS/c1-13-6-3-8-15(22)18(13)26-19(27)16-12-23-20(28-16)21(10-5-11-24-21)17-9-4-7-14(2)25-17/h3-12H,1-2H3,(H,26,27)
InChIKeyDDSOPEBHBANNQQ-UHFFFAOYSA-N
MW408.91 g/mol
LogP4.94
Rot. Bonds4

About N-(2-chloro-6-methylphenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrol-2-yl]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrol-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 57134090) has the molecular formula C21H17ClN4OS and a molecular weight of 408.91 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrol-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrol-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID57134090
Molecular FormulaC21H17ClN4OS
Molecular Weight408.91 g/mol
Exact Mass408.08
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrol-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(C2(c3ncc(C(=O)Nc4c(C)cccc4Cl)s3)C=CC=N2)n1
InChIInChI=1S/C21H17ClN4OS/c1-13-6-3-8-15(22)18(13)26-19(27)16-12-23-20(28-16)21(10-5-11-24-21)17-9-4-7-14(2)25-17/h3-12H,1-2H3,(H,26,27)
InChIKeyDDSOPEBHBANNQQ-UHFFFAOYSA-N
XLogP4.94
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-6-methylphenyl)-2-[(6-methylpyridin-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 21911345
N-(2-chloro-6-methylphenyl)-2-[(4-methylpyridin-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 21911623
N-(2-chlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 2824236
4-Amino-6-chloro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10237032
N-(2-chloro-6-methylphenyl)-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 21911266
N-(2-chloro-6-methylphenyl)-2-[(3,5-dimethylpyrazin-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 21911333
N-(2-chloro-6-methylphenyl)-2-[(4,6-dimethylpyridin-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 21911338
N-(2-chloro-6-methylphenyl)-2-[(3-pyridinyl)amino]-1,3-thiazole-5-carboxamide
CID 21911439
N-(2-chloro-6-methylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 21911457
N-(2-Chloro-6-methylphenyl)-2-[(4-pyridinyl)amino]-1,3-thiazole-5-carboxamide
CID 21911520
6-Chloro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 22638603
N-(2-chloro-6-methylphenyl)-2-[[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
CID 21137599

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrol-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrol-2-yl]-1,3-thiazole-5-carboxamide (CID 57134090) is N-(2-chloro-6-methylphenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrol-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrol-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrol-2-yl]-1,3-thiazole-5-carboxamide is Cc1cccc(C2(c3ncc(C(=O)Nc4c(C)cccc4Cl)s3)C=CC=N2)n1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrol-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is DDSOPEBHBANNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4OS/c1-13-6-3-8-15(22)18(13)26-19(27)16-12-23-20(28-16)21(10-5-11-24-21)17-9-4-7-14(2)25-17/h3-12H,1-2H3,(H,26,27).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrol-2-yl]-1,3-thiazole-5-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrol-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 408.91 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrol-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 57134090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).