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

C17H21N3OS — CID 119320857

IUPACN-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)C1CCCCN1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H21N3OS/c1-12(19-16(21)14-9-5-6-10-18-14)17-20-15(11-22-17)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,18H,5-6,9-10H2,1H3,(H,19,21)
InChIKeyNYQAIOWJFUXYGV-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.13
Rot. Bonds4

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

N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide (PubChem CID 119320857) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
PubChem CID119320857
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)C1CCCCN1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H21N3OS/c1-12(19-16(21)14-9-5-6-10-18-14)17-20-15(11-22-17)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,18H,5-6,9-10H2,1H3,(H,19,21)
InChIKeyNYQAIOWJFUXYGV-UHFFFAOYSA-N
XLogP3.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide
CID 119340374
(2R)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 113267552
N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119778931
2-[1-[[(2S)-piperidine-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 104914206
4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673541
2-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184553
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
(2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 103814463
(2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 103813258
2-(cyclopropylmethylamino)-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119778952
N-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide
CID 64570760

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide (CID 119320857) is N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide is CC(NC(=O)C1CCCCN1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is NYQAIOWJFUXYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-12(19-16(21)14-9-5-6-10-18-14)17-20-15(11-22-17)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,18H,5-6,9-10H2,1H3,(H,19,21).
What are the key properties of N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 119320857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).