N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,3-difluorobenzamide

C19H14F2N4OS2 — CID 118009422

IUPACN-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,3-difluorobenzamide
SMILESCCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2cccc(F)c2F)s1
InChIInChI=1S/C19H14F2N4OS2/c1-2-14-12(10-25(24-14)19-22-8-9-27-19)15-6-7-16(28-15)23-18(26)11-4-3-5-13(20)17(11)21/h3-10H,2H2,1H3,(H,23,26)
InChIKeyPSLLOXKDWQSIOA-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.15
Rot. Bonds5

About N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,3-difluorobenzamide

N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,3-difluorobenzamide (PubChem CID 118009422) has the molecular formula C19H14F2N4OS2 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,3-difluorobenzamide
PubChem CID118009422
Molecular FormulaC19H14F2N4OS2
Molecular Weight416.48 g/mol
Exact Mass416.06
IUPAC NameN-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,3-difluorobenzamide
SMILESCCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2cccc(F)c2F)s1
InChIInChI=1S/C19H14F2N4OS2/c1-2-14-12(10-25(24-14)19-22-8-9-27-19)15-6-7-16(28-15)23-18(26)11-4-3-5-13(20)17(11)21/h3-10H,2H2,1H3,(H,23,26)
InChIKeyPSLLOXKDWQSIOA-UHFFFAOYSA-N
XLogP5.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S,2S)-2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-N-methyl-2-(1H-pyrazol-1-yl)benzamide
CID 118034890
N-[(1S,2S)-2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(1H-pyrazol-1-yl)benzamide
CID 118025684
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 661004
5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-thiazol-2-yl]-1H-pyrazole-4-carboxylic acid (3-diethylamino-propyl)-amide
CID 10369377
4-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yl)thiazol-2-ylamino)benzamide
CID 51030714
1,3-diphenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 882594
3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1287682
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
CID 2102506
3-(1,3-diphenyl-1H-pyrazol-4-yl)-N-1,3-thiazol-2-ylacrylamide
CID 2173119
N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336083
(E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2360937
N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2468333

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,3-difluorobenzamide?
The IUPAC name of N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,3-difluorobenzamide (CID 118009422) is N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,3-difluorobenzamide.
What is the SMILES notation for N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,3-difluorobenzamide?
The canonical SMILES for N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,3-difluorobenzamide is CCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2cccc(F)c2F)s1.
What is the InChIKey of N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,3-difluorobenzamide?
The InChIKey is PSLLOXKDWQSIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4OS2/c1-2-14-12(10-25(24-14)19-22-8-9-27-19)15-6-7-16(28-15)23-18(26)11-4-3-5-13(20)17(11)21/h3-10H,2H2,1H3,(H,23,26).
What are the key properties of N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,3-difluorobenzamide?
N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,3-difluorobenzamide has a molecular weight of 416.48 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,3-difluorobenzamide is sourced from PubChem (CID 118009422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).