N-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride

C21H21ClN4OS — CID 44909045

IUPACN-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
SMILESCc1ccc2nc(N(CCCn3ccnc3)C(=O)c3ccccc3)sc2c1.Cl
InChIInChI=1S/C21H20N4OS.ClH/c1-16-8-9-18-19(14-16)27-21(23-18)25(12-5-11-24-13-10-22-15-24)20(26)17-6-3-2-4-7-17;/h2-4,6-10,13-15H,5,11-12H2,1H3;1H
InChIKeyRPHBOTZGOAGAPB-UHFFFAOYSA-N
MW412.95 g/mol
LogP4.96
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride

N-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride (PubChem CID 44909045) has the molecular formula C21H21ClN4OS and a molecular weight of 412.95 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
PubChem CID44909045
Molecular FormulaC21H21ClN4OS
Molecular Weight412.95 g/mol
Exact Mass412.11
IUPAC NameN-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
SMILESCc1ccc2nc(N(CCCn3ccnc3)C(=O)c3ccccc3)sc2c1.Cl
InChIInChI=1S/C21H20N4OS.ClH/c1-16-8-9-18-19(14-16)27-21(23-18)25(12-5-11-24-13-10-22-15-24)20(26)17-6-3-2-4-7-17;/h2-4,6-10,13-15H,5,11-12H2,1H3;1H
InChIKeyRPHBOTZGOAGAPB-UHFFFAOYSA-N
XLogP4.96
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.95
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride
CID 44909161
N-(3-imidazol-1-ylpropyl)-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44909209
N-(3-imidazol-1-ylpropyl)-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44908562
4-tert-butyl-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44909237
N-(1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
CID 18589785
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide
CID 18589895
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-4-phenylbenzamide;hydrochloride
CID 44910024
N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 16824180
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide;hydrochloride
CID 18589940
3-(1,3-benzodioxol-5-yl)-N-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)prop-2-enamide
CID 74908698
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 16824185
3-fluoro-N-(3-imidazol-1-ylpropyl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18589825

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride (CID 44909045) is N-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride is Cc1ccc2nc(N(CCCn3ccnc3)C(=O)c3ccccc3)sc2c1.Cl.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride?
The InChIKey is RPHBOTZGOAGAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS.ClH/c1-16-8-9-18-19(14-16)27-21(23-18)25(12-5-11-24-13-10-22-15-24)20(26)17-6-3-2-4-7-17;/h2-4,6-10,13-15H,5,11-12H2,1H3;1H.
What are the key properties of N-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride?
N-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride has a molecular weight of 412.95 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 44909045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).