7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride

C17H21ClN4OS — CID 16759180

IUPAC7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCCCC2)sc2nc3ccc(N)cc3n12.Cl
InChIInChI=1S/C17H20N4OS.ClH/c1-10-15(16(22)19-12-5-3-2-4-6-12)23-17-20-13-8-7-11(18)9-14(13)21(10)17;/h7-9,12H,2-6,18H2,1H3,(H,19,22);1H
InChIKeySWKZWXJQIDXGLX-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.92
Rot. Bonds2

About 7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride

7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride (PubChem CID 16759180) has the molecular formula C17H21ClN4OS and a molecular weight of 364.90 g/mol. Its IUPAC name is 7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride
PubChem CID16759180
Molecular FormulaC17H21ClN4OS
Molecular Weight364.90 g/mol
Exact Mass364.11
IUPAC Name7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCCCC2)sc2nc3ccc(N)cc3n12.Cl
InChIInChI=1S/C17H20N4OS.ClH/c1-10-15(16(22)19-12-5-3-2-4-6-12)23-17-20-13-8-7-11(18)9-14(13)21(10)17;/h7-9,12H,2-6,18H2,1H3,(H,19,22);1H
InChIKeySWKZWXJQIDXGLX-UHFFFAOYSA-N
XLogP3.92
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

YM298198
CID 9819432
7-amino-N-cyclohexyl-1-methyl-2-thiazolo[3,2-a]benzimidazolecarboxamide
CID 11716890
N-(4-(diethylamino)phenyl)-3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029593
YM 298198 hydrochloride
CID 45073464
N-cyclopropyl-5-[4-(dimethylamino)-2-methylbenzimidazol-1-yl]thiophene-2-carboxamide
CID 70693712
N-benzyl-2-methyl-imidazo[2,1-b][1,3]benzothiazole-1-carboxamide
CID 127025880
3-[[(E)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 162648318
4-[[(E)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 162672036
2-[[(E)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 162673713
2-(1-benzylbenzimidazol-2-yl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 50994502
2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 50994503
2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 51032809

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride?
The IUPAC name of 7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride (CID 16759180) is 7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride.
What is the SMILES notation for 7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride?
The canonical SMILES for 7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride is Cc1c(C(=O)NC2CCCCC2)sc2nc3ccc(N)cc3n12.Cl.
What is the InChIKey of 7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride?
The InChIKey is SWKZWXJQIDXGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS.ClH/c1-10-15(16(22)19-12-5-3-2-4-6-12)23-17-20-13-8-7-11(18)9-14(13)21(10)17;/h7-9,12H,2-6,18H2,1H3,(H,19,22);1H.
What are the key properties of 7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride?
7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride has a molecular weight of 364.90 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride is sourced from PubChem (CID 16759180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).