N-[4-(2-ethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide

C13H19N3O2S — CID 47029935

IUPACN-[4-(2-ethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
SMILESCCC1CCCCN1C(=O)c1csc(NC(C)=O)n1
InChIInChI=1S/C13H19N3O2S/c1-3-10-6-4-5-7-16(10)12(18)11-8-19-13(15-11)14-9(2)17/h8,10H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyXUDPBUOJJVZCPR-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.51
Rot. Bonds3

About N-[4-(2-ethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide

N-[4-(2-ethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 47029935) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[4-(2-ethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-ethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
PubChem CID47029935
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-[4-(2-ethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
SMILESCCC1CCCCN1C(=O)c1csc(NC(C)=O)n1
InChIInChI=1S/C13H19N3O2S/c1-3-10-6-4-5-7-16(10)12(18)11-8-19-13(15-11)14-9(2)17/h8,10H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyXUDPBUOJJVZCPR-UHFFFAOYSA-N
XLogP2.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(2-ethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide (CID 47029935) is N-[4-(2-ethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(2-ethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(2-ethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide is CCC1CCCCN1C(=O)c1csc(NC(C)=O)n1.
What is the InChIKey of N-[4-(2-ethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is XUDPBUOJJVZCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-3-10-6-4-5-7-16(10)12(18)11-8-19-13(15-11)14-9(2)17/h8,10H,3-7H2,1-2H3,(H,14,15,17).
What are the key properties of N-[4-(2-ethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(2-ethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 281.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 47029935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).