1-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide

C13H11FN4OS — CID 42138540

IUPAC1-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2nc3ccc(F)cc3s2)n1
InChIInChI=1S/C13H11FN4OS/c1-2-18-6-5-10(17-18)12(19)16-13-15-9-4-3-8(14)7-11(9)20-13/h3-7H,2H2,1H3,(H,15,16,19)
InChIKeyAZXSUBHUFJRYAE-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.90
Rot. Bonds3

About 1-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide

1-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 42138540) has the molecular formula C13H11FN4OS and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
PubChem CID42138540
Molecular FormulaC13H11FN4OS
Molecular Weight290.32 g/mol
Exact Mass290.06
IUPAC Name1-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2nc3ccc(F)cc3s2)n1
InChIInChI=1S/C13H11FN4OS/c1-2-18-6-5-10(17-18)12(19)16-13-15-9-4-3-8(14)7-11(9)20-13/h3-7H,2H2,1H3,(H,15,16,19)
InChIKeyAZXSUBHUFJRYAE-UHFFFAOYSA-N
XLogP2.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.90
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-(azetidine-1-carbonyl)-1-methyl-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]pyrazole-5-carboxamide
CID 165415088
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-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2468333

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide (CID 42138540) is 1-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2nc3ccc(F)cc3s2)n1.
What is the InChIKey of 1-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is AZXSUBHUFJRYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4OS/c1-2-18-6-5-10(17-18)12(19)16-13-15-9-4-3-8(14)7-11(9)20-13/h3-7H,2H2,1H3,(H,15,16,19).
What are the key properties of 1-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
1-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 42138540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).