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

C17H21N3OS — CID 119266960

IUPACN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)C1CCNCC1
InChIInChI=1S/C17H21N3OS/c21-16(13-6-9-18-10-7-13)19-11-8-15-12-22-17(20-15)14-4-2-1-3-5-14/h1-5,12-13,18H,6-11H2,(H,19,21)
InChIKeyHPWOXLFBVRLIOF-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.47
Rot. Bonds5

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

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 119266960) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID119266960
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)C1CCNCC1
InChIInChI=1S/C17H21N3OS/c21-16(13-6-9-18-10-7-13)19-11-8-15-12-22-17(20-15)14-4-2-1-3-5-14/h1-5,12-13,18H,6-11H2,(H,19,21)
InChIKeyHPWOXLFBVRLIOF-UHFFFAOYSA-N
XLogP2.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 7518407
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119681420
9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120992137
1-benzylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390118
N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide
CID 10968855
9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992136
1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
CID 51710217
N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 110351886
(1S,6S)-6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 7119142
(2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120918381
4-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122005819
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(4-propylphenyl)sulfonylpiperidine-4-carboxamide
CID 46390108

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (CID 119266960) is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is O=C(NCCc1csc(-c2ccccc2)n1)C1CCNCC1.
What is the InChIKey of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is HPWOXLFBVRLIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c21-16(13-6-9-18-10-7-13)19-11-8-15-12-22-17(20-15)14-4-2-1-3-5-14/h1-5,12-13,18H,6-11H2,(H,19,21).
What are the key properties of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 119266960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).