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

C13H19N3O2S — CID 64556117

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2nc(C(C)=O)cs2)CCCNC1
InChIInChI=1S/C13H19N3O2S/c1-3-13(5-4-6-14-8-13)11(18)16-12-15-10(7-19-12)9(2)17/h7,14H,3-6,8H2,1-2H3,(H,15,16,18)
InChIKeyKDHSWPCSBXIUSS-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.06
Rot. Bonds4

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

N-(4-acetyl-1,3-thiazol-2-yl)-3-ethylpiperidine-3-carboxamide (PubChem CID 64556117) 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)-3-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-3-ethylpiperidine-3-carboxamide
PubChem CID64556117
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2nc(C(C)=O)cs2)CCCNC1
InChIInChI=1S/C13H19N3O2S/c1-3-13(5-4-6-14-8-13)11(18)16-12-15-10(7-19-12)9(2)17/h7,14H,3-6,8H2,1-2H3,(H,15,16,18)
InChIKeyKDHSWPCSBXIUSS-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-(4-acetyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxamide
CID 64557119
3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 63138876
3-ethyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 63140720
2-[1-[(3-ethylpiperidine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379247
N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
CID 63138339
3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 63140977
3-ethyl-N-(3-methyl-1,2-oxazol-5-yl)piperidine-3-carboxamide
CID 63132332
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxamide
CID 63129094
3-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 63131523
N-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide
CID 63132685
N-(2,6-diethylphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132509
N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104678293

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-ethylpiperidine-3-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-ethylpiperidine-3-carboxamide (CID 64556117) is N-(4-acetyl-1,3-thiazol-2-yl)-3-ethylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-3-ethylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-3-ethylpiperidine-3-carboxamide is CCC1(C(=O)Nc2nc(C(C)=O)cs2)CCCNC1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-3-ethylpiperidine-3-carboxamide?
The InChIKey is KDHSWPCSBXIUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-3-13(5-4-6-14-8-13)11(18)16-12-15-10(7-19-12)9(2)17/h7,14H,3-6,8H2,1-2H3,(H,15,16,18).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-3-ethylpiperidine-3-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-3-ethylpiperidine-3-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)-3-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 64556117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).