(2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride

C19H26ClN3OS — CID 120620807

IUPAC(2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)c1sc(NC(=O)[C@H]2CCN[C@@H](C)C2)nc1-c1ccccc1.Cl
InChIInChI=1S/C19H25N3OS.ClH/c1-12(2)17-16(14-7-5-4-6-8-14)21-19(24-17)22-18(23)15-9-10-20-13(3)11-15;/h4-8,12-13,15,20H,9-11H2,1-3H3,(H,21,22,23);1H/t13-,15-;/m0./s1
InChIKeyWUELDHSSZNDLPM-SLHAJLBXSA-N
MW379.96 g/mol
LogP4.68
Rot. Bonds4

About (2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120620807) has the molecular formula C19H26ClN3OS and a molecular weight of 379.96 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID120620807
Molecular FormulaC19H26ClN3OS
Molecular Weight379.96 g/mol
Exact Mass379.15
IUPAC Name(2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)c1sc(NC(=O)[C@H]2CCN[C@@H](C)C2)nc1-c1ccccc1.Cl
InChIInChI=1S/C19H25N3OS.ClH/c1-12(2)17-16(14-7-5-4-6-8-14)21-19(24-17)22-18(23)15-9-10-20-13(3)11-15;/h4-8,12-13,15,20H,9-11H2,1-3H3,(H,21,22,23);1H/t13-,15-;/m0./s1
InChIKeyWUELDHSSZNDLPM-SLHAJLBXSA-N
XLogP4.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.96
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 39001874
(2S,4S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide
CID 120618742
1-(4-methyl-1,3-thiazol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 99791504
N-[3-[2-oxo-2-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55688843
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120616178
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
(2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637089
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-4-carboxamide
CID 106738958
2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120634432
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride (CID 120620807) is (2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride is CC(C)c1sc(NC(=O)[C@H]2CCN[C@@H](C)C2)nc1-c1ccccc1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is WUELDHSSZNDLPM-SLHAJLBXSA-N. The full InChI is InChI=1S/C19H25N3OS.ClH/c1-12(2)17-16(14-7-5-4-6-8-14)21-19(24-17)22-18(23)15-9-10-20-13(3)11-15;/h4-8,12-13,15,20H,9-11H2,1-3H3,(H,21,22,23);1H/t13-,15-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 379.96 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120620807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).