5-(difluoromethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide

C12H7F3N4OS — CID 134711901

IUPAC5-(difluoromethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1nc2c(F)cccc2s1)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C12H7F3N4OS/c13-5-2-1-3-8-9(5)16-12(21-8)17-11(20)7-4-6(10(14)15)18-19-7/h1-4,10H,(H,18,19)(H,16,17,20)
InChIKeySZBJHWYDGOZEBN-UHFFFAOYSA-N
MW312.28 g/mol
LogP3.35
Rot. Bonds3

About 5-(difluoromethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide

5-(difluoromethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 134711901) has the molecular formula C12H7F3N4OS and a molecular weight of 312.28 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID134711901
Molecular FormulaC12H7F3N4OS
Molecular Weight312.28 g/mol
Exact Mass312.03
IUPAC Name5-(difluoromethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1nc2c(F)cccc2s1)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C12H7F3N4OS/c13-5-2-1-3-8-9(5)16-12(21-8)17-11(20)7-4-6(10(14)15)18-19-7/h1-4,10H,(H,18,19)(H,16,17,20)
InChIKeySZBJHWYDGOZEBN-UHFFFAOYSA-N
XLogP3.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7193186
5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 47293501
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide
CID 7193259
3-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 121082993
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide
CID 53269300
4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7152616
1-benzhydryl-3-(4-fluoro-1,3-benzothiazol-2-yl)urea
CID 121082406
1-(3,5-dimethylphenyl)-3-(4-fluoro-1,3-benzothiazol-2-yl)urea
CID 121080751
2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615215
N-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43989277
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 7193198
N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 7193256

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide (CID 134711901) is 5-(difluoromethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide is O=C(Nc1nc2c(F)cccc2s1)c1cc(C(F)F)[nH]n1.
What is the InChIKey of 5-(difluoromethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is SZBJHWYDGOZEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4OS/c13-5-2-1-3-8-9(5)16-12(21-8)17-11(20)7-4-6(10(14)15)18-19-7/h1-4,10H,(H,18,19)(H,16,17,20).
What are the key properties of 5-(difluoromethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide?
5-(difluoromethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 312.28 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 134711901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).