(2S,4S)-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C20H28ClN3O2S — CID 120633300

IUPAC(2S,4S)-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(-c2nc(C)c(C(C)NC(=O)[C@H]3CCN[C@@H](C)C3)s2)cc1.Cl
InChIInChI=1S/C20H27N3O2S.ClH/c1-12-11-16(9-10-21-12)19(24)22-13(2)18-14(3)23-20(26-18)15-5-7-17(25-4)8-6-15;/h5-8,12-13,16,21H,9-11H2,1-4H3,(H,22,24);1H/t12-,13?,16-;/m0./s1
InChIKeyCFLJFOFHZGRKHS-MEIQIVFVSA-N
MW409.98 g/mol
LogP4.11
Rot. Bonds5

About (2S,4S)-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120633300) has the molecular formula C20H28ClN3O2S and a molecular weight of 409.98 g/mol. Its IUPAC name is (2S,4S)-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120633300
Molecular FormulaC20H28ClN3O2S
Molecular Weight409.98 g/mol
Exact Mass409.16
IUPAC Name(2S,4S)-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(-c2nc(C)c(C(C)NC(=O)[C@H]3CCN[C@@H](C)C3)s2)cc1.Cl
InChIInChI=1S/C20H27N3O2S.ClH/c1-12-11-16(9-10-21-12)19(24)22-13(2)18-14(3)23-20(26-18)15-5-7-17(25-4)8-6-15;/h5-8,12-13,16,21H,9-11H2,1-4H3,(H,22,24);1H/t12-,13?,16-;/m0./s1
InChIKeyCFLJFOFHZGRKHS-MEIQIVFVSA-N
XLogP4.11
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.98
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpiperidine-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

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120633300) is (2S,4S)-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is COc1ccc(-c2nc(C)c(C(C)NC(=O)[C@H]3CCN[C@@H](C)C3)s2)cc1.Cl.
What is the InChIKey of (2S,4S)-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is CFLJFOFHZGRKHS-MEIQIVFVSA-N. The full InChI is InChI=1S/C20H27N3O2S.ClH/c1-12-11-16(9-10-21-12)19(24)22-13(2)18-14(3)23-20(26-18)15-5-7-17(25-4)8-6-15;/h5-8,12-13,16,21H,9-11H2,1-4H3,(H,22,24);1H/t12-,13?,16-;/m0./s1.
What are the key properties of (2S,4S)-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 409.98 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120633300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).