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

C17H21N3OS — CID 118514488

IUPACN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)N1CCCCC1
InChIInChI=1S/C17H21N3OS/c21-17(20-11-5-2-6-12-20)18-10-9-16-19-15(13-22-16)14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-12H2,(H,18,21)
InChIKeyNZIJWXUXIJSKGF-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.55
Rot. Bonds4

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

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide (PubChem CID 118514488) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
PubChem CID118514488
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)N1CCCCC1
InChIInChI=1S/C17H21N3OS/c21-17(20-11-5-2-6-12-20)18-10-9-16-19-15(13-22-16)14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-12H2,(H,18,21)
InChIKeyNZIJWXUXIJSKGF-UHFFFAOYSA-N
XLogP3.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide (CID 118514488) is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide is O=C(NCCc1nc(-c2ccccc2)cs1)N1CCCCC1.
What is the InChIKey of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is NZIJWXUXIJSKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c21-17(20-11-5-2-6-12-20)18-10-9-16-19-15(13-22-16)14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-12H2,(H,18,21).
What are the key properties of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide?
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 118514488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).