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

C15H11F2N5O2S — CID 167902187

IUPAC2-(3,4-difluorophenyl)-N-[5-(methylcarbamoyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1cc(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)n[nH]1
InChIInChI=1S/C15H11F2N5O2S/c1-18-13(23)10-5-12(22-21-10)20-14(24)11-6-25-15(19-11)7-2-3-8(16)9(17)4-7/h2-6H,1H3,(H,18,23)(H2,20,21,22,24)
InChIKeyQCOSIBDNYBVBJM-UHFFFAOYSA-N
MW363.35 g/mol
LogP2.42
Rot. Bonds4

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

2-(3,4-difluorophenyl)-N-[5-(methylcarbamoyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 167902187) has the molecular formula C15H11F2N5O2S and a molecular weight of 363.35 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[5-(methylcarbamoyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[5-(methylcarbamoyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID167902187
Molecular FormulaC15H11F2N5O2S
Molecular Weight363.35 g/mol
Exact Mass363.06
IUPAC Name2-(3,4-difluorophenyl)-N-[5-(methylcarbamoyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1cc(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)n[nH]1
InChIInChI=1S/C15H11F2N5O2S/c1-18-13(23)10-5-12(22-21-10)20-14(24)11-6-25-15(19-11)7-2-3-8(16)9(17)4-7/h2-6H,1H3,(H,18,23)(H2,20,21,22,24)
InChIKeyQCOSIBDNYBVBJM-UHFFFAOYSA-N
XLogP2.42
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 78824310
2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24670372
2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 26467798
3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523899
2-(3,4-difluorophenyl)-N-(2-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide
CID 110021576
3-[(4,5-difluoro-2-methylbenzoyl)amino]-N-methyl-1H-pyrazole-5-carboxamide
CID 141159341
N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 9455109
N-(2,4-difluorophenyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 4529483
2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 9043781
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 166212983
1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one
CID 58782173
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[5-(methylcarbamoyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[5-(methylcarbamoyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide (CID 167902187) is 2-(3,4-difluorophenyl)-N-[5-(methylcarbamoyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[5-(methylcarbamoyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[5-(methylcarbamoyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide is CNC(=O)c1cc(NC(=O)c2csc(-c3ccc(F)c(F)c3)n2)n[nH]1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[5-(methylcarbamoyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is QCOSIBDNYBVBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N5O2S/c1-18-13(23)10-5-12(22-21-10)20-14(24)11-6-25-15(19-11)7-2-3-8(16)9(17)4-7/h2-6H,1H3,(H,18,23)(H2,20,21,22,24).
What are the key properties of 2-(3,4-difluorophenyl)-N-[5-(methylcarbamoyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide?
2-(3,4-difluorophenyl)-N-[5-(methylcarbamoyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 363.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[5-(methylcarbamoyl)-1H-pyrazol-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 167902187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).