N-[1-(4-methylphenyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide

C14H12N4OS — CID 166359813

IUPACN-[1-(4-methylphenyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-n2ccc(NC(=O)c3cncs3)n2)cc1
InChIInChI=1S/C14H12N4OS/c1-10-2-4-11(5-3-10)18-7-6-13(17-18)16-14(19)12-8-15-9-20-12/h2-9H,1H3,(H,16,17,19)
InChIKeyBSSQJSVKKLPTGB-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.89
Rot. Bonds3

About N-[1-(4-methylphenyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide

N-[1-(4-methylphenyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 166359813) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID166359813
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC NameN-[1-(4-methylphenyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-n2ccc(NC(=O)c3cncs3)n2)cc1
InChIInChI=1S/C14H12N4OS/c1-10-2-4-11(5-3-10)18-7-6-13(17-18)16-14(19)12-8-15-9-20-12/h2-9H,1H3,(H,16,17,19)
InChIKeyBSSQJSVKKLPTGB-UHFFFAOYSA-N
XLogP2.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methylthiophene-2-carboxamide
CID 46107021
1-amino-N-[1-(4-methylphenyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 167967330
5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide
CID 55580357
N-(2-methoxy-5-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110860261
1-[(5-tert-butyl-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)pyrazol-3-yl]urea
CID 166360065
N-[1-(7-oxo-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-3-yl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 134398198
3-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)propanamide
CID 55536355
N-(6-chloro-2-pyridinyl)-1,3-thiazole-5-carboxamide
CID 103739832
N-(4-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 110862156
N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 139226744
4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537155
N-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 150699383

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide (CID 166359813) is N-[1-(4-methylphenyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide is Cc1ccc(-n2ccc(NC(=O)c3cncs3)n2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is BSSQJSVKKLPTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-10-2-4-11(5-3-10)18-7-6-13(17-18)16-14(19)12-8-15-9-20-12/h2-9H,1H3,(H,16,17,19).
What are the key properties of N-[1-(4-methylphenyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
N-[1-(4-methylphenyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166359813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).