2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide

C16H16N4OS — CID 167991505

IUPAC2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCc3cc(C)[nH]n3)cs2)cc1
InChIInChI=1S/C16H16N4OS/c1-10-3-5-12(6-4-10)16-18-14(9-22-16)15(21)17-8-13-7-11(2)19-20-13/h3-7,9H,8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyCGDHSJWGGNQOQI-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.08
Rot. Bonds4

About 2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide

2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 167991505) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID167991505
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCc3cc(C)[nH]n3)cs2)cc1
InChIInChI=1S/C16H16N4OS/c1-10-3-5-12(6-4-10)16-18-14(9-22-16)15(21)17-8-13-7-11(2)19-20-13/h3-7,9H,8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyCGDHSJWGGNQOQI-UHFFFAOYSA-N
XLogP3.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 17401006
N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 97004654
N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 51204736
N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9488971
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18163813
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24512523
2-(2,4-dimethylphenyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 56523972
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
2-methyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 95148304
2-(2,5-dimethylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
CID 166204960
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24676414

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide (CID 167991505) is 2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)NCc3cc(C)[nH]n3)cs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CGDHSJWGGNQOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-10-3-5-12(6-4-10)16-18-14(9-22-16)15(21)17-8-13-7-11(2)19-20-13/h3-7,9H,8H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 167991505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).