ethyl 1-(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylate

C16H24N2O3S — CID 110676451

IUPACethyl 1-(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2sc(C)nc2C(C)C)C1
InChIInChI=1S/C16H24N2O3S/c1-5-21-16(20)12-7-6-8-18(9-12)15(19)14-13(10(2)3)17-11(4)22-14/h10,12H,5-9H2,1-4H3
InChIKeyMTCFSUQEIMLYLP-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.99
Rot. Bonds4

About ethyl 1-(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylate

ethyl 1-(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylate (PubChem CID 110676451) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is ethyl 1-(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylate
PubChem CID110676451
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Nameethyl 1-(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2sc(C)nc2C(C)C)C1
InChIInChI=1S/C16H24N2O3S/c1-5-21-16(20)12-7-6-8-18(9-12)15(19)14-13(10(2)3)17-11(4)22-14/h10,12H,5-9H2,1-4H3
InChIKeyMTCFSUQEIMLYLP-UHFFFAOYSA-N
XLogP2.99
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-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 (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 115535606
ethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate
CID 94809108
ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate
CID 2385973
ethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 61340323
ethyl 1-(4-methyl-1,3-thiazole-2-carbonyl)piperidine-3-carboxylate
CID 110696139
ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-3-carboxylate
CID 80642246
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3S)-1-(2,6-dimethylbenzoyl)piperidine-3-carboxylate
CID 103783546
ethyl (3S)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxylate
CID 81345352
ethyl (3S)-1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 81338391
ethyl (3R)-1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 81338794

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylate (CID 110676451) is ethyl 1-(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2sc(C)nc2C(C)C)C1.
What is the InChIKey of ethyl 1-(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylate?
The InChIKey is MTCFSUQEIMLYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-5-21-16(20)12-7-6-8-18(9-12)15(19)14-13(10(2)3)17-11(4)22-14/h10,12H,5-9H2,1-4H3.
What are the key properties of ethyl 1-(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylate?
ethyl 1-(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylate has a molecular weight of 324.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 110676451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).