2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide

C18H12F2N4OS2 — CID 118009575

IUPAC2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide
SMILESCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C18H12F2N4OS2/c1-10-11(9-24(23-10)18-21-7-8-26-18)14-5-6-15(27-14)22-17(25)16-12(19)3-2-4-13(16)20/h2-9H,1H3,(H,22,25)
InChIKeyPBZPVBRDSBQZOY-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.90
Rot. Bonds4

About 2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide

2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide (PubChem CID 118009575) has the molecular formula C18H12F2N4OS2 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide
PubChem CID118009575
Molecular FormulaC18H12F2N4OS2
Molecular Weight402.45 g/mol
Exact Mass402.04
IUPAC Name2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide
SMILESCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C18H12F2N4OS2/c1-10-11(9-24(23-10)18-21-7-8-26-18)14-5-6-15(27-14)22-17(25)16-12(19)3-2-4-13(16)20/h2-9H,1H3,(H,22,25)
InChIKeyPBZPVBRDSBQZOY-UHFFFAOYSA-N
XLogP4.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.90
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
N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336083
1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 2477783
N-(5-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2576311
3-methyl-1-(2-methylpropyl)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 8849767

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide (CID 118009575) is 2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide is Cc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1.
What is the InChIKey of 2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide?
The InChIKey is PBZPVBRDSBQZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4OS2/c1-10-11(9-24(23-10)18-21-7-8-26-18)14-5-6-15(27-14)22-17(25)16-12(19)3-2-4-13(16)20/h2-9H,1H3,(H,22,25).
What are the key properties of 2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide?
2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide has a molecular weight of 402.45 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide is sourced from PubChem (CID 118009575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).