methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate

C13H21N3O2S — CID 79772196

IUPACmethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCNc1ncc(CN2CCC(C(=O)OC)CC2)s1
InChIInChI=1S/C13H21N3O2S/c1-3-14-13-15-8-11(19-13)9-16-6-4-10(5-7-16)12(17)18-2/h8,10H,3-7,9H2,1-2H3,(H,14,15)
InChIKeyNCIUOOICSFPTLE-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.96
Rot. Bonds5

About methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate

methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate (PubChem CID 79772196) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
PubChem CID79772196
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Namemethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCNc1ncc(CN2CCC(C(=O)OC)CC2)s1
InChIInChI=1S/C13H21N3O2S/c1-3-14-13-15-8-11(19-13)9-16-6-4-10(5-7-16)12(17)18-2/h8,10H,3-7,9H2,1-2H3,(H,14,15)
InChIKeyNCIUOOICSFPTLE-UHFFFAOYSA-N
XLogP1.96
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-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 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate (CID 79772196) is methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate is CCNc1ncc(CN2CCC(C(=O)OC)CC2)s1.
What is the InChIKey of methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
The InChIKey is NCIUOOICSFPTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-14-13-15-8-11(19-13)9-16-6-4-10(5-7-16)12(17)18-2/h8,10H,3-7,9H2,1-2H3,(H,14,15).
What are the key properties of methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate has a molecular weight of 283.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 79772196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).