4-imidazol-1-yl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride

C18H20ClN5OS — CID 120998426

IUPAC4-imidazol-1-yl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride
SMILESCl.O=C(Nc1ncc(C2CCNCC2)s1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H19N5OS.ClH/c24-17(14-1-3-15(4-2-14)23-10-9-20-12-23)22-18-21-11-16(25-18)13-5-7-19-8-6-13;/h1-4,9-13,19H,5-8H2,(H,21,22,24);1H
InChIKeyLGLGSEZJKUQQDZ-UHFFFAOYSA-N
MW389.91 g/mol
LogP3.47
Rot. Bonds4

About 4-imidazol-1-yl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride

4-imidazol-1-yl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride (PubChem CID 120998426) has the molecular formula C18H20ClN5OS and a molecular weight of 389.91 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-imidazol-1-yl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride
PubChem CID120998426
Molecular FormulaC18H20ClN5OS
Molecular Weight389.91 g/mol
Exact Mass389.11
IUPAC Name4-imidazol-1-yl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride
SMILESCl.O=C(Nc1ncc(C2CCNCC2)s1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H19N5OS.ClH/c24-17(14-1-3-15(4-2-14)23-10-9-20-12-23)22-18-21-11-16(25-18)13-5-7-19-8-6-13;/h1-4,9-13,19H,5-8H2,(H,21,22,24);1H
InChIKeyLGLGSEZJKUQQDZ-UHFFFAOYSA-N
XLogP3.47
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-imidazol-1-yl-N-piperidin-4-ylbenzamide
CID 14664369
6-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 120998297
4-[methyl(propyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride
CID 120998638
4-[methyl(2-methylpropyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide
CID 120998241
5-cyclopropyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;hydrochloride
CID 120998626
4-amino-N-(5-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 141021538
2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride
CID 120998258
N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide
CID 31533716
4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride
CID 119512079
N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120998349
2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 120998344
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-imidazol-1-ylbenzamide
CID 75355784

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride?
The IUPAC name of 4-imidazol-1-yl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride (CID 120998426) is 4-imidazol-1-yl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-imidazol-1-yl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride?
The canonical SMILES for 4-imidazol-1-yl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride is Cl.O=C(Nc1ncc(C2CCNCC2)s1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride?
The InChIKey is LGLGSEZJKUQQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS.ClH/c24-17(14-1-3-15(4-2-14)23-10-9-20-12-23)22-18-21-11-16(25-18)13-5-7-19-8-6-13;/h1-4,9-13,19H,5-8H2,(H,21,22,24);1H.
What are the key properties of 4-imidazol-1-yl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride?
4-imidazol-1-yl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride has a molecular weight of 389.91 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 120998426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).