N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide;hydrochloride

C18H16Cl2N4O2S — CID 16824180

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide;hydrochloride
SMILESCl.O=C(c1ccco1)N(CCCn1ccnc1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C18H15ClN4O2S.ClH/c19-13-4-5-14-16(11-13)26-18(21-14)23(17(24)15-3-1-10-25-15)8-2-7-22-9-6-20-12-22;/h1,3-6,9-12H,2,7-8H2;1H
InChIKeyJRZMOZIJEJIUQP-UHFFFAOYSA-N
MW423.33 g/mol
LogP4.90
Rot. Bonds6

About N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide;hydrochloride

N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide;hydrochloride (PubChem CID 16824180) has the molecular formula C18H16Cl2N4O2S and a molecular weight of 423.33 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide;hydrochloride
PubChem CID16824180
Molecular FormulaC18H16Cl2N4O2S
Molecular Weight423.33 g/mol
Exact Mass422.04
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide;hydrochloride
SMILESCl.O=C(c1ccco1)N(CCCn1ccnc1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C18H15ClN4O2S.ClH/c19-13-4-5-14-16(11-13)26-18(21-14)23(17(24)15-3-1-10-25-15)8-2-7-22-9-6-20-12-22;/h1,3-6,9-12H,2,7-8H2;1H
InChIKeyJRZMOZIJEJIUQP-UHFFFAOYSA-N
XLogP4.90
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.33
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 16824185
3-[(6-chloro-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium
CID 7208705
(E)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide;hydrochloride
CID 44908898
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 18589956
N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 44908909
(E)-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-thiophen-2-ylprop-2-enamide
CID 18589863
N-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44909045
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-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide
CID 18589895
5-chloro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 18589917
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfanylphenyl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
CID 44909197

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide;hydrochloride?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide;hydrochloride (CID 16824180) is N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide;hydrochloride is Cl.O=C(c1ccco1)N(CCCn1ccnc1)c1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide;hydrochloride?
The InChIKey is JRZMOZIJEJIUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2S.ClH/c19-13-4-5-14-16(11-13)26-18(21-14)23(17(24)15-3-1-10-25-15)8-2-7-22-9-6-20-12-22;/h1,3-6,9-12H,2,7-8H2;1H.
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide;hydrochloride?
N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide;hydrochloride has a molecular weight of 423.33 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 16824180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).