ethyl 4-methyl-2-[2-oxo-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propyl]-1,3-thiazole-5-carboxylate

C18H28N2O3S — CID 148956031

IUPACethyl 4-methyl-2-[2-oxo-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(CC(=O)C[C@@H]2CCCN(C(C)C)C2)nc1C
InChIInChI=1S/C18H28N2O3S/c1-5-23-18(22)17-13(4)19-16(24-17)10-15(21)9-14-7-6-8-20(11-14)12(2)3/h12,14H,5-11H2,1-4H3/t14-/m0/s1
InChIKeyPQWJIAOBWVYZNB-AWEZNQCLSA-N
MW352.50 g/mol
LogP3.25
Rot. Bonds7

About ethyl 4-methyl-2-[2-oxo-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propyl]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[2-oxo-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propyl]-1,3-thiazole-5-carboxylate (PubChem CID 148956031) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is ethyl 4-methyl-2-[2-oxo-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[2-oxo-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propyl]-1,3-thiazole-5-carboxylate
PubChem CID148956031
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Nameethyl 4-methyl-2-[2-oxo-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(CC(=O)C[C@@H]2CCCN(C(C)C)C2)nc1C
InChIInChI=1S/C18H28N2O3S/c1-5-23-18(22)17-13(4)19-16(24-17)10-15(21)9-14-7-6-8-20(11-14)12(2)3/h12,14H,5-11H2,1-4H3/t14-/m0/s1
InChIKeyPQWJIAOBWVYZNB-AWEZNQCLSA-N
XLogP3.25
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-methyl-2-[2-oxo-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propyl]-1,3-thiazole-5-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 ethyl 4-methyl-2-[2-oxo-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[2-oxo-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propyl]-1,3-thiazole-5-carboxylate (CID 148956031) is ethyl 4-methyl-2-[2-oxo-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[2-oxo-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[2-oxo-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propyl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(CC(=O)C[C@@H]2CCCN(C(C)C)C2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[2-oxo-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propyl]-1,3-thiazole-5-carboxylate?
The InChIKey is PQWJIAOBWVYZNB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-5-23-18(22)17-13(4)19-16(24-17)10-15(21)9-14-7-6-8-20(11-14)12(2)3/h12,14H,5-11H2,1-4H3/t14-/m0/s1.
What are the key properties of ethyl 4-methyl-2-[2-oxo-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propyl]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[2-oxo-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propyl]-1,3-thiazole-5-carboxylate has a molecular weight of 352.50 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[2-oxo-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 148956031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).