4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide

C15H14N4OS — CID 71938362

IUPAC4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C15H14N4OS/c1-11-14(21-10-16-11)15(20)18-13-5-3-12(4-6-13)9-19-8-2-7-17-19/h2-8,10H,9H2,1H3,(H,18,20)
InChIKeyQHZXACNHOHZDHY-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.95
Rot. Bonds4

About 4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 71938362) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID71938362
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C15H14N4OS/c1-11-14(21-10-16-11)15(20)18-13-5-3-12(4-6-13)9-19-8-2-7-17-19/h2-8,10H,9H2,1H3,(H,18,20)
InChIKeyQHZXACNHOHZDHY-UHFFFAOYSA-N
XLogP2.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 47254879
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CID 79804775
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
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4-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-thiazole-5-carboxamide
CID 122290710
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CID 134036419
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 55812614
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
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N-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60934045
5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 60933639
1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119715469
4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 47035824

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 71938362) is 4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(Cn2cccn2)cc1.
What is the InChIKey of 4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QHZXACNHOHZDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-11-14(21-10-16-11)15(20)18-13-5-3-12(4-6-13)9-19-8-2-7-17-19/h2-8,10H,9H2,1H3,(H,18,20).
What are the key properties of 4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71938362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).