N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide

C12H9ClN4OS — CID 43952268

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C12H9ClN4OS/c1-17-5-4-14-10(17)11(18)16-12-15-8-3-2-7(13)6-9(8)19-12/h2-6H,1H3,(H,15,16,18)
InChIKeyFPSNUONRHULARY-UHFFFAOYSA-N
MW292.75 g/mol
LogP2.94
Rot. Bonds2

About N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide (PubChem CID 43952268) has the molecular formula C12H9ClN4OS and a molecular weight of 292.75 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
PubChem CID43952268
Molecular FormulaC12H9ClN4OS
Molecular Weight292.75 g/mol
Exact Mass292.02
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C12H9ClN4OS/c1-17-5-4-14-10(17)11(18)16-12-15-8-3-2-7(13)6-9(8)19-12/h2-6H,1H3,(H,15,16,18)
InChIKeyFPSNUONRHULARY-UHFFFAOYSA-N
XLogP2.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 110692949
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43989097
2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 108739147
4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 65354962
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 78889853
N-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43989277
1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)imidazole-2-carboxamide
CID 90601810
N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide
CID 62238142
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide (CID 43952268) is N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide is Cn1ccnc1C(=O)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide?
The InChIKey is FPSNUONRHULARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4OS/c1-17-5-4-14-10(17)11(18)16-12-15-8-3-2-7(13)6-9(8)19-12/h2-6H,1H3,(H,15,16,18).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide has a molecular weight of 292.75 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 43952268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).