N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide

C13H11ClN4OS — CID 43989097

IUPACN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
SMILESCc1c(Cl)ccc2sc(NC(=O)c3nccn3C)nc12
InChIInChI=1S/C13H11ClN4OS/c1-7-8(14)3-4-9-10(7)16-13(20-9)17-12(19)11-15-5-6-18(11)2/h3-6H,1-2H3,(H,16,17,19)
InChIKeyRLYPLCJJOXEDNN-UHFFFAOYSA-N
MW306.78 g/mol
LogP3.24
Rot. Bonds2

About N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide (PubChem CID 43989097) has the molecular formula C13H11ClN4OS and a molecular weight of 306.78 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
PubChem CID43989097
Molecular FormulaC13H11ClN4OS
Molecular Weight306.78 g/mol
Exact Mass306.03
IUPAC NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
SMILESCc1c(Cl)ccc2sc(NC(=O)c3nccn3C)nc12
InChIInChI=1S/C13H11ClN4OS/c1-7-8(14)3-4-9-10(7)16-13(20-9)17-12(19)11-15-5-6-18(11)2/h3-6H,1-2H3,(H,16,17,19)
InChIKeyRLYPLCJJOXEDNN-UHFFFAOYSA-N
XLogP3.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-3-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)urea
CID 121082431
N-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43989277
2-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192536
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7192499
4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192526
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43952268
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea
CID 121080787
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide
CID 7267223
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 2150698
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethylbutanamide
CID 35569941
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 7579507
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethoxynaphthalene-1-carboxamide
CID 43988802

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide?
The IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide (CID 43989097) is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide is Cc1c(Cl)ccc2sc(NC(=O)c3nccn3C)nc12.
What is the InChIKey of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide?
The InChIKey is RLYPLCJJOXEDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4OS/c1-7-8(14)3-4-9-10(7)16-13(20-9)17-12(19)11-15-5-6-18(11)2/h3-6H,1-2H3,(H,16,17,19).
What are the key properties of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide?
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide has a molecular weight of 306.78 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 43989097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).