N-(3-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride

C16H19ClN4O3S — CID 120557885

IUPACN-(3-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1.Cl
InChIInChI=1S/C16H18N4O3S.ClH/c1-10-8-17-6-5-13(10)18-15(21)14-9-24-16(19-14)11-3-2-4-12(7-11)20(22)23;/h2-4,7,9-10,13,17H,5-6,8H2,1H3,(H,18,21);1H
InChIKeyQRFABKSNOXJZKH-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.87
Rot. Bonds4

About N-(3-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride

N-(3-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120557885) has the molecular formula C16H19ClN4O3S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120557885
Molecular FormulaC16H19ClN4O3S
Molecular Weight382.87 g/mol
Exact Mass382.09
IUPAC NameN-(3-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1.Cl
InChIInChI=1S/C16H18N4O3S.ClH/c1-10-8-17-6-5-13(10)18-15(21)14-9-24-16(19-14)11-3-2-4-12(7-11)20(22)23;/h2-4,7,9-10,13,17H,5-6,8H2,1H3,(H,18,21);1H
InChIKeyQRFABKSNOXJZKH-UHFFFAOYSA-N
XLogP2.87
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120602389
N-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride
CID 120553090
2-(2-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120554755
N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 97011678
2-(5-bromothiophen-2-yl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 120555124
2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120553729
(3-methylpiperazin-1-yl)-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone
CID 119580818
N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 95068183
2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453994
N-(3-methylpiperidin-4-yl)-5-nitro-2-phenylsulfanylbenzamide;hydrochloride
CID 120554982
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 119509488
(2R)-3-methyl-2-[[2-(3-nitrophenyl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 119369388

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 120557885) is N-(3-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride is CC1CNCCC1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is QRFABKSNOXJZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S.ClH/c1-10-8-17-6-5-13(10)18-15(21)14-9-24-16(19-14)11-3-2-4-12(7-11)20(22)23;/h2-4,7,9-10,13,17H,5-6,8H2,1H3,(H,18,21);1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
N-(3-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 382.87 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120557885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).