ethyl 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxylate

C12H18N2O2S — CID 112732132

IUPACethyl 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N2CCC(C)CC2)n1
InChIInChI=1S/C12H18N2O2S/c1-3-16-11(15)10-8-17-12(13-10)14-6-4-9(2)5-7-14/h8-9H,3-7H2,1-2H3
InChIKeyXGEBCOLNYCNGLP-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.56
Rot. Bonds3

About ethyl 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxylate

ethyl 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxylate (PubChem CID 112732132) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is ethyl 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxylate
PubChem CID112732132
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Nameethyl 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N2CCC(C)CC2)n1
InChIInChI=1S/C12H18N2O2S/c1-3-16-11(15)10-8-17-12(13-10)14-6-4-9(2)5-7-14/h8-9H,3-7H2,1-2H3
InChIKeyXGEBCOLNYCNGLP-UHFFFAOYSA-N
XLogP2.56
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(4-methylpiperidin-1-yl)-1,3-thiazole-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

Related Compounds

ethyl 2-(azepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80568096
ethyl 2-(4-ethylazepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80569559
ethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate
CID 90291460
ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,3-thiazole-4-carboxylate
CID 80569291
ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole-4-carboxylate
CID 80569525
ethyl 2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate
CID 122476822
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
CID 53418800
ethyl 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
CID 80569012
ethyl 2-[4-(6-bromohexanoylamino)piperidin-1-yl]-1,3-thiazole-4-carboxylate
CID 174209168
ethyl 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-thiazole-4-carboxylate
CID 102887594
ethyl 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3-thiazole-4-carboxylate
CID 102729075
ethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-4-carboxylate
CID 68579908

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxylate (CID 112732132) is ethyl 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(N2CCC(C)CC2)n1.
What is the InChIKey of ethyl 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is XGEBCOLNYCNGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-16-11(15)10-8-17-12(13-10)14-6-4-9(2)5-7-14/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxylate?
ethyl 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 254.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 112732132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).