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

C12H9FN4OS — CID 25284516

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C12H9FN4OS/c1-17-9(4-5-14-17)11(18)16-12-15-8-3-2-7(13)6-10(8)19-12/h2-6H,1H3,(H,15,16,18)
InChIKeyXMDXTLXUOMZFFR-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.42
Rot. Bonds2

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

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide (PubChem CID 25284516) has the molecular formula C12H9FN4OS and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide
PubChem CID25284516
Molecular FormulaC12H9FN4OS
Molecular Weight276.30 g/mol
Exact Mass276.05
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C12H9FN4OS/c1-17-9(4-5-14-17)11(18)16-12-15-8-3-2-7(13)6-10(8)19-12/h2-6H,1H3,(H,15,16,18)
InChIKeyXMDXTLXUOMZFFR-UHFFFAOYSA-N
XLogP2.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-1,3-benzothiazol-2-yl-2-(3-nitro-1H-pyrazol-1-yl)acetamide
CID 1508883

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide (CID 25284516) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide?
The InChIKey is XMDXTLXUOMZFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4OS/c1-17-9(4-5-14-17)11(18)16-12-15-8-3-2-7(13)6-10(8)19-12/h2-6H,1H3,(H,15,16,18).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 25284516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).