N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide

C18H23N3OS — CID 162657556

IUPACN-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
SMILESCc1ccc(-c2nc(CCNC(=O)N3CCCCC3)cs2)cc1
InChIInChI=1S/C18H23N3OS/c1-14-5-7-15(8-6-14)17-20-16(13-23-17)9-10-19-18(22)21-11-3-2-4-12-21/h5-8,13H,2-4,9-12H2,1H3,(H,19,22)
InChIKeySPECPSRLGNHZEV-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.86
Rot. Bonds4

About N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide

N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide (PubChem CID 162657556) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
PubChem CID162657556
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
SMILESCc1ccc(-c2nc(CCNC(=O)N3CCCCC3)cs2)cc1
InChIInChI=1S/C18H23N3OS/c1-14-5-7-15(8-6-14)17-20-16(13-23-17)9-10-19-18(22)21-11-3-2-4-12-21/h5-8,13H,2-4,9-12H2,1H3,(H,19,22)
InChIKeySPECPSRLGNHZEV-UHFFFAOYSA-N
XLogP3.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Phenyl-thiazol-2-yl)-piperazine-1-carboxylic acid dimethylamide
CID 778223
N-(cyanomethyl)-4-methyl-2-(2-phenyl-1,3-thiazol-4-yl)pentanamide
CID 11034349
N-[(4-methylphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532745
3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 7152314
N-[[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
CID 9344082
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 3244200
N-(2-(2-phenylthiazol-4-yl)ethyl)cyclopentanecarboxamide
CID 18554625
N-(2-(2-phenylthiazol-4-yl)ethyl)cyclohexanecarboxamide
CID 22583820
1-[4-(4-Methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44143947
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 92131180
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 118514488
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]azepane-1-carboxamide
CID 118514531

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide (CID 162657556) is N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide is Cc1ccc(-c2nc(CCNC(=O)N3CCCCC3)cs2)cc1.
What is the InChIKey of N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is SPECPSRLGNHZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-14-5-7-15(8-6-14)17-20-16(13-23-17)9-10-19-18(22)21-11-3-2-4-12-21/h5-8,13H,2-4,9-12H2,1H3,(H,19,22).
What are the key properties of N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide?
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 162657556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).