N-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide

C13H19N3O2S — CID 114429119

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2nc(C(C)=O)cs2)C1
InChIInChI=1S/C13H19N3O2S/c1-3-9-4-5-14-10(6-9)12(18)16-13-15-11(7-19-13)8(2)17/h7,9-10,14H,3-6H2,1-2H3,(H,15,16,18)
InChIKeyTYQWNCJUDRAQSP-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.06
Rot. Bonds4

About N-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide (PubChem CID 114429119) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide
PubChem CID114429119
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2nc(C(C)=O)cs2)C1
InChIInChI=1S/C13H19N3O2S/c1-3-9-4-5-14-10(6-9)12(18)16-13-15-11(7-19-13)8(2)17/h7,9-10,14H,3-6H2,1-2H3,(H,15,16,18)
InChIKeyTYQWNCJUDRAQSP-UHFFFAOYSA-N
XLogP2.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-ethylpiperidine-2-carboxamide
CID 114427950
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide
CID 114428592
N-(4-acetyl-1,3-thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 64556516
4-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 114427841
N-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79615397
4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide
CID 106047519
4-ethyl-N-(1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 114428961
N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide
CID 115681438
N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
CID 60717010
N-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)acetamide
CID 64612276
4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide
CID 114428009
N-(2,6-difluorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428002

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide (CID 114429119) is N-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide is CCC1CCNC(C(=O)Nc2nc(C(C)=O)cs2)C1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide?
The InChIKey is TYQWNCJUDRAQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-3-9-4-5-14-10(6-9)12(18)16-13-15-11(7-19-13)8(2)17/h7,9-10,14H,3-6H2,1-2H3,(H,15,16,18).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide is sourced from PubChem (CID 114429119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).