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

C18H23ClN4OS — CID 45073464

IUPAC7-amino-N-cyclohexyl-N,1-dimethyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)N(C)C2CCCCC2)sc2nc3ccc(N)cc3n12.Cl
InChIInChI=1S/C18H22N4OS.ClH/c1-11-16(17(23)21(2)13-6-4-3-5-7-13)24-18-20-14-9-8-12(19)10-15(14)22(11)18;/h8-10,13H,3-7,19H2,1-2H3;1H
InChIKeyWYTJVUVCSUWZTH-UHFFFAOYSA-N
MW378.93 g/mol
LogP4.27
Rot. Bonds2

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

7-amino-N-cyclohexyl-N,1-dimethyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride (PubChem CID 45073464) has the molecular formula C18H23ClN4OS and a molecular weight of 378.93 g/mol. Its IUPAC name is 7-amino-N-cyclohexyl-N,1-dimethyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-cyclohexyl-N,1-dimethyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride
PubChem CID45073464
Molecular FormulaC18H23ClN4OS
Molecular Weight378.93 g/mol
Exact Mass378.13
IUPAC Name7-amino-N-cyclohexyl-N,1-dimethyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)N(C)C2CCCCC2)sc2nc3ccc(N)cc3n12.Cl
InChIInChI=1S/C18H22N4OS.ClH/c1-11-16(17(23)21(2)13-6-4-3-5-7-13)24-18-20-14-9-8-12(19)10-15(14)22(11)18;/h8-10,13H,3-7,19H2,1-2H3;1H
InChIKeyWYTJVUVCSUWZTH-UHFFFAOYSA-N
XLogP4.27
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 54.27
H-Bond Donors ≤ 51
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
6-Amino-N-cyclohexyl-3-methylthiazolo[3,2-A]benzimidazole-2-carboxamide hydrochloride
CID 16759180
N-benzyl-2-methyl-imidazo[2,1-b][1,3]benzothiazole-1-carboxamide
CID 127025880
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
2-(1-benzylbenzimidazol-2-yl)-N-cyclohexyl-4-methyl-1,3-thiazole-5-carboxamide
CID 51032810
2-methyl-N-phenyl-imidazo[2,1-b][1,3]benzothiazole-1-carboxamide
CID 127025878

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-cyclohexyl-N,1-dimethyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride?
The IUPAC name of 7-amino-N-cyclohexyl-N,1-dimethyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride (CID 45073464) is 7-amino-N-cyclohexyl-N,1-dimethyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride.
What is the SMILES notation for 7-amino-N-cyclohexyl-N,1-dimethyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride?
The canonical SMILES for 7-amino-N-cyclohexyl-N,1-dimethyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride is Cc1c(C(=O)N(C)C2CCCCC2)sc2nc3ccc(N)cc3n12.Cl.
What is the InChIKey of 7-amino-N-cyclohexyl-N,1-dimethyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride?
The InChIKey is WYTJVUVCSUWZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS.ClH/c1-11-16(17(23)21(2)13-6-4-3-5-7-13)24-18-20-14-9-8-12(19)10-15(14)22(11)18;/h8-10,13H,3-7,19H2,1-2H3;1H.
What are the key properties of 7-amino-N-cyclohexyl-N,1-dimethyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride?
7-amino-N-cyclohexyl-N,1-dimethyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride has a molecular weight of 378.93 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-cyclohexyl-N,1-dimethyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide;hydrochloride is sourced from PubChem (CID 45073464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).