methyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate

C13H19N3O3S — CID 48596029

IUPACmethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCCc1ncc(C(=O)NC2CCN(C(=O)OC)CC2)s1
InChIInChI=1S/C13H19N3O3S/c1-3-11-14-8-10(20-11)12(17)15-9-4-6-16(7-5-9)13(18)19-2/h8-9H,3-7H2,1-2H3,(H,15,17)
InChIKeyAENOZKXXRRWTAM-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.67
Rot. Bonds3

About methyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate

methyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 48596029) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is methyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate
PubChem CID48596029
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Namemethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCCc1ncc(C(=O)NC2CCN(C(=O)OC)CC2)s1
InChIInChI=1S/C13H19N3O3S/c1-3-11-14-8-10(20-11)12(17)15-9-4-6-16(7-5-9)13(18)19-2/h8-9H,3-7H2,1-2H3,(H,15,17)
InChIKeyAENOZKXXRRWTAM-UHFFFAOYSA-N
XLogP1.67
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate (CID 48596029) is methyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate is CCc1ncc(C(=O)NC2CCN(C(=O)OC)CC2)s1.
What is the InChIKey of methyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is AENOZKXXRRWTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-3-11-14-8-10(20-11)12(17)15-9-4-6-16(7-5-9)13(18)19-2/h8-9H,3-7H2,1-2H3,(H,15,17).
What are the key properties of methyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate?
methyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 48596029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).