N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride

C18H24ClN3OS — CID 119297288

IUPACN-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(Cc2sc(NC(=O)C3CCCNC3)nc2C)cc1.Cl
InChIInChI=1S/C18H23N3OS.ClH/c1-12-5-7-14(8-6-12)10-16-13(2)20-18(23-16)21-17(22)15-4-3-9-19-11-15;/h5-8,15,19H,3-4,9-11H2,1-2H3,(H,20,21,22);1H
InChIKeyMAVRNYANIVHQTL-UHFFFAOYSA-N
MW365.93 g/mol
LogP3.71
Rot. Bonds4

About N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride

N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119297288) has the molecular formula C18H24ClN3OS and a molecular weight of 365.93 g/mol. Its IUPAC name is N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride
PubChem CID119297288
Molecular FormulaC18H24ClN3OS
Molecular Weight365.93 g/mol
Exact Mass365.13
IUPAC NameN-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(Cc2sc(NC(=O)C3CCCNC3)nc2C)cc1.Cl
InChIInChI=1S/C18H23N3OS.ClH/c1-12-5-7-14(8-6-12)10-16-13(2)20-18(23-16)21-17(22)15-4-3-9-19-11-15;/h5-8,15,19H,3-4,9-11H2,1-2H3,(H,20,21,22);1H
InChIKeyMAVRNYANIVHQTL-UHFFFAOYSA-N
XLogP3.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.93
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-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-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 126782049
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 86849733
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119263430
1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55895685
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 18072655
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119321373
(2S,4R)-4-hydroxy-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 125153850
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
1-amino-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 119737916
N-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
CID 110645371
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55896068
(4S)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 97067107

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride (CID 119297288) is N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride is Cc1ccc(Cc2sc(NC(=O)C3CCCNC3)nc2C)cc1.Cl.
What is the InChIKey of N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is MAVRNYANIVHQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS.ClH/c1-12-5-7-14(8-6-12)10-16-13(2)20-18(23-16)21-17(22)15-4-3-9-19-11-15;/h5-8,15,19H,3-4,9-11H2,1-2H3,(H,20,21,22);1H.
What are the key properties of N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride?
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 365.93 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119297288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).