2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

C18H17ClN4O2S — CID 60557435

IUPAC2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnn(CC2CCCO2)c1)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H17ClN4O2S/c19-13-4-1-3-12(7-13)18-22-16(11-26-18)17(24)21-14-8-20-23(9-14)10-15-5-2-6-25-15/h1,3-4,7-9,11,15H,2,5-6,10H2,(H,21,24)
InChIKeyGKMSKBFEGBBKKN-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.09
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 60557435) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID60557435
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC Name2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnn(CC2CCCO2)c1)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H17ClN4O2S/c19-13-4-1-3-12(7-13)18-22-16(11-26-18)17(24)21-14-8-20-23(9-14)10-15-5-2-6-25-15/h1,3-4,7-9,11,15H,2,5-6,10H2,(H,21,24)
InChIKeyGKMSKBFEGBBKKN-UHFFFAOYSA-N
XLogP4.09
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121145260
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 60782178
5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 47327915
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 71911590
5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 121016949
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 94811903
3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 136521322
N-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129952
1-ethyl-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]indole-2-carboxamide
CID 95143710
N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 60557435) is 2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1cnn(CC2CCCO2)c1)c1csc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is GKMSKBFEGBBKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c19-13-4-1-3-12(7-13)18-22-16(11-26-18)17(24)21-14-8-20-23(9-14)10-15-5-2-6-25-15/h1,3-4,7-9,11,15H,2,5-6,10H2,(H,21,24).
What are the key properties of 2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 388.88 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 60557435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).