N-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide

C12H9FN4OS — CID 43989277

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)Nc1nc2c(F)cccc2s1
InChIInChI=1S/C12H9FN4OS/c1-17-6-5-14-10(17)11(18)16-12-15-9-7(13)3-2-4-8(9)19-12/h2-6H,1H3,(H,15,16,18)
InChIKeyNFWCJQYNUFSZJU-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.42
Rot. Bonds2

About N-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide

N-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide (PubChem CID 43989277) has the molecular formula C12H9FN4OS and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
PubChem CID43989277
Molecular FormulaC12H9FN4OS
Molecular Weight276.30 g/mol
Exact Mass276.05
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)Nc1nc2c(F)cccc2s1
InChIInChI=1S/C12H9FN4OS/c1-17-6-5-14-10(17)11(18)16-12-15-9-7(13)3-2-4-8(9)19-12/h2-6H,1H3,(H,15,16,18)
InChIKeyNFWCJQYNUFSZJU-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

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Related Compounds

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43989097
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43952268
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxypyridine-3-carboxamide
CID 134709205
2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7193186
4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7152616
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide
CID 7193259
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 7193198
N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 7193256
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
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

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide (CID 43989277) is N-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide is Cn1ccnc1C(=O)Nc1nc2c(F)cccc2s1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide?
The InChIKey is NFWCJQYNUFSZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4OS/c1-17-6-5-14-10(17)11(18)16-12-15-9-7(13)3-2-4-8(9)19-12/h2-6H,1H3,(H,15,16,18).
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-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-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 43989277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).