4-[methyl(propyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride

C19H27ClN4OS — CID 120998638

IUPAC4-[methyl(propyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride
SMILESCCCN(C)c1ccc(C(=O)Nc2ncc(C3CCNCC3)s2)cc1.Cl
InChIInChI=1S/C19H26N4OS.ClH/c1-3-12-23(2)16-6-4-15(5-7-16)18(24)22-19-21-13-17(25-19)14-8-10-20-11-9-14;/h4-7,13-14,20H,3,8-12H2,1-2H3,(H,21,22,24);1H
InChIKeyMBZLPNJOFCCYCK-UHFFFAOYSA-N
MW394.97 g/mol
LogP4.13
Rot. Bonds6

About 4-[methyl(propyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride

4-[methyl(propyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride (PubChem CID 120998638) has the molecular formula C19H27ClN4OS and a molecular weight of 394.97 g/mol. Its IUPAC name is 4-[methyl(propyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[methyl(propyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride
PubChem CID120998638
Molecular FormulaC19H27ClN4OS
Molecular Weight394.97 g/mol
Exact Mass394.16
IUPAC Name4-[methyl(propyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride
SMILESCCCN(C)c1ccc(C(=O)Nc2ncc(C3CCNCC3)s2)cc1.Cl
InChIInChI=1S/C19H26N4OS.ClH/c1-3-12-23(2)16-6-4-15(5-7-16)18(24)22-19-21-13-17(25-19)14-8-10-20-11-9-14;/h4-7,13-14,20H,3,8-12H2,1-2H3,(H,21,22,24);1H
InChIKeyMBZLPNJOFCCYCK-UHFFFAOYSA-N
XLogP4.13
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.97
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl(2-methylpropyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide
CID 120998241
6-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 120998297
4-imidazol-1-yl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride
CID 120998426
5-cyclopropyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;hydrochloride
CID 120998626
2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride
CID 120998258
4-amino-N-(5-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 141021538
2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
CID 120998569
N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide
CID 119444660
2-(1-ethoxyethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 120998289
5-(2-chlorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 120998124
2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 120998344
3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 120998386

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride?
The IUPAC name of 4-[methyl(propyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride (CID 120998638) is 4-[methyl(propyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-[methyl(propyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride?
The canonical SMILES for 4-[methyl(propyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride is CCCN(C)c1ccc(C(=O)Nc2ncc(C3CCNCC3)s2)cc1.Cl.
What is the InChIKey of 4-[methyl(propyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride?
The InChIKey is MBZLPNJOFCCYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS.ClH/c1-3-12-23(2)16-6-4-15(5-7-16)18(24)22-19-21-13-17(25-19)14-8-10-20-11-9-14;/h4-7,13-14,20H,3,8-12H2,1-2H3,(H,21,22,24);1H.
What are the key properties of 4-[methyl(propyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride?
4-[methyl(propyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride has a molecular weight of 394.97 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 120998638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).