N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide

C17H19N3OS — CID 67030843

IUPACN-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)sc2nc3ccccc3n12
InChIInChI=1S/C17H19N3OS/c1-11-15(16(21)18-12-7-3-2-4-8-12)22-17-19-13-9-5-6-10-14(13)20(11)17/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,18,21)
InChIKeyPOWVBNCQZLEGDE-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.92
Rot. Bonds2

About N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide

N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide (PubChem CID 67030843) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
PubChem CID67030843
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)sc2nc3ccccc3n12
InChIInChI=1S/C17H19N3OS/c1-11-15(16(21)18-12-7-3-2-4-8-12)22-17-19-13-9-5-6-10-14(13)20(11)17/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,18,21)
InChIKeyPOWVBNCQZLEGDE-UHFFFAOYSA-N
XLogP3.92
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326113
N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731876
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507
N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 4122728
N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
N-cycloheptyl-2-methylquinazoline-4-carboxamide
CID 110702850
N-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide
CID 53100720
N-cyclohexyl-5,6-dimethyl-8-oxo-4-thia-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,10,12,14,16,18-octaene-11-carboxamide
CID 22695929
2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide
CID 91821812
N-cyclooctylquinoxaline-2-carboxamide
CID 22136387
2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071425
N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497379

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide (CID 67030843) is N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide is Cc1c(C(=O)NC2CCCCC2)sc2nc3ccccc3n12.
What is the InChIKey of N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide?
The InChIKey is POWVBNCQZLEGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-11-15(16(21)18-12-7-3-2-4-8-12)22-17-19-13-9-5-6-10-14(13)20(11)17/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,18,21).
What are the key properties of N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide?
N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 67030843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).