ethyl 4-(3,3-dimethylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate

C14H20N2O3S — CID 116698059

IUPACethyl 4-(3,3-dimethylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)N2CCCC(C)(C)C2)cs1
InChIInChI=1S/C14H20N2O3S/c1-4-19-13(18)11-15-10(8-20-11)12(17)16-7-5-6-14(2,3)9-16/h8H,4-7,9H2,1-3H3
InChIKeyKHUOFWXPNUQQAC-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.58
Rot. Bonds3

About ethyl 4-(3,3-dimethylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate

ethyl 4-(3,3-dimethylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate (PubChem CID 116698059) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is ethyl 4-(3,3-dimethylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,3-dimethylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate
PubChem CID116698059
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Nameethyl 4-(3,3-dimethylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)N2CCCC(C)(C)C2)cs1
InChIInChI=1S/C14H20N2O3S/c1-4-19-13(18)11-15-10(8-20-11)12(17)16-7-5-6-14(2,3)9-16/h8H,4-7,9H2,1-3H3
InChIKeyKHUOFWXPNUQQAC-UHFFFAOYSA-N
XLogP2.58
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(3,3-dimethylpiperidine-1-carbonyl)-1,3-thiazole-2-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 4-(3-methoxy-3-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate
CID 107394173
ethyl 4-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate
CID 116697657
ethyl 4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-thiazole-2-carboxylate
CID 114412289
ethyl 4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazole-2-carboxylate
CID 116697785
ethyl 4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-1,3-thiazole-2-carboxylate
CID 116698125
ethyl 4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxylate
CID 116698217
ethyl 4-[(1-methylcyclopropyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698267
ethyl 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1,3-thiazole-2-carboxylate
CID 116698086
ethyl 4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxylate
CID 116697871
ethyl 4-(1-aminocyclobutyl)-1,3-thiazole-2-carboxylate
CID 70793451
ethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate
CID 116698306
1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-methylpiperidine-3-carboxylic acid
CID 66389170

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,3-dimethylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-(3,3-dimethylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate (CID 116698059) is ethyl 4-(3,3-dimethylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(3,3-dimethylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-(3,3-dimethylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C(=O)N2CCCC(C)(C)C2)cs1.
What is the InChIKey of ethyl 4-(3,3-dimethylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate?
The InChIKey is KHUOFWXPNUQQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-4-19-13(18)11-15-10(8-20-11)12(17)16-7-5-6-14(2,3)9-16/h8H,4-7,9H2,1-3H3.
What are the key properties of ethyl 4-(3,3-dimethylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate?
ethyl 4-(3,3-dimethylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,3-dimethylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 116698059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).