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

C13H21N3OS — CID 53016848

IUPACN-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2nc(CC)cs2)C1
InChIInChI=1S/C13H21N3OS/c1-3-11-9-18-12(15-11)10-6-5-7-16(8-10)13(17)14-4-2/h9-10H,3-8H2,1-2H3,(H,14,17)
InChIKeyJXFJJBYJEFPZPD-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.61
Rot. Bonds3

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

N-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 53016848) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID53016848
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2nc(CC)cs2)C1
InChIInChI=1S/C13H21N3OS/c1-3-11-9-18-12(15-11)10-6-5-7-16(8-10)13(17)14-4-2/h9-10H,3-8H2,1-2H3,(H,14,17)
InChIKeyJXFJJBYJEFPZPD-UHFFFAOYSA-N
XLogP2.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 53016848) is N-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is CCNC(=O)N1CCCC(c2nc(CC)cs2)C1.
What is the InChIKey of N-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is JXFJJBYJEFPZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-11-9-18-12(15-11)10-6-5-7-16(8-10)13(17)14-4-2/h9-10H,3-8H2,1-2H3,(H,14,17).
What are the key properties of N-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
N-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 53016848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).