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

C18H23N3OS — CID 162654990

IUPACN-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
SMILESCc1ccccc1-c1nc(CCNC(=O)N2CCCCC2)cs1
InChIInChI=1S/C18H23N3OS/c1-14-7-3-4-8-16(14)17-20-15(13-23-17)9-10-19-18(22)21-11-5-2-6-12-21/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,19,22)
InChIKeyIPTZOSGBMISDQW-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.86
Rot. Bonds4

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

N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide (PubChem CID 162654990) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
PubChem CID162654990
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
SMILESCc1ccccc1-c1nc(CCNC(=O)N2CCCCC2)cs1
InChIInChI=1S/C18H23N3OS/c1-14-7-3-4-8-16(14)17-20-15(13-23-17)9-10-19-18(22)21-11-5-2-6-12-21/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,19,22)
InChIKeyIPTZOSGBMISDQW-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

N-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 162672065
N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
CID 110317283
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]cyclohexanecarboxamide
CID 108760316
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide
CID 110317363
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide
CID 108737483
2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737460
2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344742
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 108737407
N-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide
CID 110351972
N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea
CID 110624857
(2R)-2-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
CID 97097729

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide (CID 162654990) is N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide is Cc1ccccc1-c1nc(CCNC(=O)N2CCCCC2)cs1.
What is the InChIKey of N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is IPTZOSGBMISDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-14-7-3-4-8-16(14)17-20-15(13-23-17)9-10-19-18(22)21-11-5-2-6-12-21/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,19,22).
What are the key properties of N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide?
N-[2-[2-(2-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-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 162654990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).