N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

C16H15ClN4O2S — CID 99122319

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cnc(-c2cnn(C)c2)s1
InChIInChI=1S/C16H15ClN4O2S/c1-9-4-12(13(23-3)5-11(9)17)20-15(22)14-7-18-16(24-14)10-6-19-21(2)8-10/h4-8H,1-3H3,(H,20,22)
InChIKeyPKMZUWQVSKKCHN-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.77
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 99122319) has the molecular formula C16H15ClN4O2S and a molecular weight of 362.84 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID99122319
Molecular FormulaC16H15ClN4O2S
Molecular Weight362.84 g/mol
Exact Mass362.06
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cnc(-c2cnn(C)c2)s1
InChIInChI=1S/C16H15ClN4O2S/c1-9-4-12(13(23-3)5-11(9)17)20-15(22)14-7-18-16(24-14)10-6-19-21(2)8-10/h4-8H,1-3H3,(H,20,22)
InChIKeyPKMZUWQVSKKCHN-UHFFFAOYSA-N
XLogP3.77
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylpyrazol-4-yl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-5-carboxamide
CID 99122315
N-(4-chloro-2-methoxy-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107020009
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 731690
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121054
N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43532961
6-amino-5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 62153748
N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 127310827
2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270356
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50779982
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63864045
4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270694

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 99122319) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1cnc(-c2cnn(C)c2)s1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is PKMZUWQVSKKCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S/c1-9-4-12(13(23-3)5-11(9)17)20-15(22)14-7-18-16(24-14)10-6-19-21(2)8-10/h4-8H,1-3H3,(H,20,22).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 362.84 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99122319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).