N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide

C12H8F2N4OS — CID 25284705

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2nc3c(F)cc(F)cc3s2)n1
InChIInChI=1S/C12H8F2N4OS/c1-18-3-2-8(17-18)11(19)16-12-15-10-7(14)4-6(13)5-9(10)20-12/h2-5H,1H3,(H,15,16,19)
InChIKeyGDHCZRSYIFNWOL-UHFFFAOYSA-N
MW294.29 g/mol
LogP2.56
Rot. Bonds2

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 25284705) has the molecular formula C12H8F2N4OS and a molecular weight of 294.29 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID25284705
Molecular FormulaC12H8F2N4OS
Molecular Weight294.29 g/mol
Exact Mass294.04
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2nc3c(F)cc(F)cc3s2)n1
InChIInChI=1S/C12H8F2N4OS/c1-18-3-2-8(17-18)11(19)16-12-15-10-7(14)4-6(13)5-9(10)20-12/h2-5H,1H3,(H,15,16,19)
InChIKeyGDHCZRSYIFNWOL-UHFFFAOYSA-N
XLogP2.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid benzothiazol-2-ylamide
CID 749848
US9790220, Example 10
CID 126666451
N-(1,3-benzothiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2369356
N-(6-chloro-1,3-benzothiazol-2-yl)-1,5-dimethyl-3-pyrazolecarboxamide
CID 2738514
N-(4,6-difluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2474590
4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-1,3-benzothiazol-5-yl]-1-methylpyrazole-5-carboxamide
CID 165415054
4-chloro-N-{6-nitro-1,3-benzothiazol-2-yl}-1-methyl-1H-pyrazole-3-carboxamide
CID 741250
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 741252
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 741253
N-(6-fluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2114872
N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 18205340
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 155546662

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide (CID 25284705) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2nc3c(F)cc(F)cc3s2)n1.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is GDHCZRSYIFNWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4OS/c1-18-3-2-8(17-18)11(19)16-12-15-10-7(14)4-6(13)5-9(10)20-12/h2-5H,1H3,(H,15,16,19).
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 294.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 25284705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).