N-cyclohexyl-6-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide

C22H30N4O2S — CID 10409562

IUPACN-cyclohexyl-6-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
SMILESCOCCN(C)Cc1ccc2c(c1)nc1sc(C(=O)N(C)C3CCCCC3)cn12
InChIInChI=1S/C22H30N4O2S/c1-24(11-12-28-3)14-16-9-10-19-18(13-16)23-22-26(19)15-20(29-22)21(27)25(2)17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3
InChIKeyYDAIWUAWYILYPH-UHFFFAOYSA-N
MW414.58 g/mol
LogP4.03
Rot. Bonds7

About N-cyclohexyl-6-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide

N-cyclohexyl-6-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide (PubChem CID 10409562) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is N-cyclohexyl-6-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
PubChem CID10409562
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC NameN-cyclohexyl-6-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
SMILESCOCCN(C)Cc1ccc2c(c1)nc1sc(C(=O)N(C)C3CCCCC3)cn12
InChIInChI=1S/C22H30N4O2S/c1-24(11-12-28-3)14-16-9-10-19-18(13-16)23-22-26(19)15-20(29-22)21(27)25(2)17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3
InChIKeyYDAIWUAWYILYPH-UHFFFAOYSA-N
XLogP4.03
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1,3-thiazole-5-carboxamide
CID 134277685
N-cyclohexyl-7-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
CID 18003010
(2,6-Dimethylmorpholino)(3-methyl-6-phenylimidazo[2,1-b]thiazol-2-yl)methanone
CID 3244991
3-Methyl-2-(morpholin-4-ylcarbonyl)-6-phenylimidazo[2,1-b][1,3]thiazole
CID 3245660
[6-(4-Fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 44579405
N-cyclohexyl-7-[[2-methoxyethyl((111C)methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
CID 53319509
N-cyclohexyl-7-[[2-methoxyethyl(methyl)amino]methyl]-N-(111C)methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
CID 54585457
N-[2-imidazol-1-yl-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 73349664
N-[2-imidazol-1-yl-5-(2-methylpropyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 73357237
N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 134277584
N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 134277588
N,N-bis(2-methoxyethyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3242900

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-cyclohexyl-6-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide (CID 10409562) is N-cyclohexyl-6-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-6-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide is COCCN(C)Cc1ccc2c(c1)nc1sc(C(=O)N(C)C3CCCCC3)cn12.
What is the InChIKey of N-cyclohexyl-6-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide?
The InChIKey is YDAIWUAWYILYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-24(11-12-28-3)14-16-9-10-19-18(13-16)23-22-26(19)15-20(29-22)21(27)25(2)17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3.
What are the key properties of N-cyclohexyl-6-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide?
N-cyclohexyl-6-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide has a molecular weight of 414.58 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 10409562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).