2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

C16H17N5OS — CID 123928883

IUPAC2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCn1ccc(-c2nc(C)c(C(=O)NCc3cccnc3)s2)n1
InChIInChI=1S/C16H17N5OS/c1-3-21-8-6-13(20-21)16-19-11(2)14(23-16)15(22)18-10-12-5-4-7-17-9-12/h4-9H,3,10H2,1-2H3,(H,18,22)
InChIKeyHQYIUXIBMCYSTE-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.66
Rot. Bonds5

About 2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 123928883) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID123928883
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCn1ccc(-c2nc(C)c(C(=O)NCc3cccnc3)s2)n1
InChIInChI=1S/C16H17N5OS/c1-3-21-8-6-13(20-21)16-19-11(2)14(23-16)15(22)18-10-12-5-4-7-17-9-12/h4-9H,3,10H2,1-2H3,(H,18,22)
InChIKeyHQYIUXIBMCYSTE-UHFFFAOYSA-N
XLogP2.66
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24956492
4-methyl-2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24956493
2-[1-[2-[(4-fluorobenzoyl)amino]ethyl]pyrazol-3-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59489563
4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 24956847
4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 59489550
2-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24512542
2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 42534185
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51048692
2-[3-[2-(4-fluorophenyl)ethyl]cyclopenta-1,4-dien-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24952222
3-ethyl-5-methyl-4-oxo-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 23911712
4-methyl-2-[1-(2-phenylethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxylic acid
CID 123346434

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 123928883) is 2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is CCn1ccc(-c2nc(C)c(C(=O)NCc3cccnc3)s2)n1.
What is the InChIKey of 2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HQYIUXIBMCYSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-3-21-8-6-13(20-21)16-19-11(2)14(23-16)15(22)18-10-12-5-4-7-17-9-12/h4-9H,3,10H2,1-2H3,(H,18,22).
What are the key properties of 2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 123928883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).