tert-butyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-oxopiperidine-1-carboxylate

C16H24N2O3S — CID 104928402

IUPACtert-butyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-oxopiperidine-1-carboxylate
SMILESCc1nc(CC2CN(C(=O)OC(C)(C)C)CCC2=O)sc1C
InChIInChI=1S/C16H24N2O3S/c1-10-11(2)22-14(17-10)8-12-9-18(7-6-13(12)19)15(20)21-16(3,4)5/h12H,6-9H2,1-5H3
InChIKeyTZJQQVBMTOSMOY-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.13
Rot. Bonds2

About tert-butyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-oxopiperidine-1-carboxylate

tert-butyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-oxopiperidine-1-carboxylate (PubChem CID 104928402) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is tert-butyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-oxopiperidine-1-carboxylate
PubChem CID104928402
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Nametert-butyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-oxopiperidine-1-carboxylate
SMILESCc1nc(CC2CN(C(=O)OC(C)(C)C)CCC2=O)sc1C
InChIInChI=1S/C16H24N2O3S/c1-10-11(2)22-14(17-10)8-12-9-18(7-6-13(12)19)15(20)21-16(3,4)5/h12H,6-9H2,1-5H3
InChIKeyTZJQQVBMTOSMOY-UHFFFAOYSA-N
XLogP3.13
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-oxopiperidine-1-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 tert-butyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-oxopiperidine-1-carboxylate (CID 104928402) is tert-butyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-oxopiperidine-1-carboxylate is Cc1nc(CC2CN(C(=O)OC(C)(C)C)CCC2=O)sc1C.
What is the InChIKey of tert-butyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-oxopiperidine-1-carboxylate?
The InChIKey is TZJQQVBMTOSMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-10-11(2)22-14(17-10)8-12-9-18(7-6-13(12)19)15(20)21-16(3,4)5/h12H,6-9H2,1-5H3.
What are the key properties of tert-butyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-oxopiperidine-1-carboxylate?
tert-butyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-oxopiperidine-1-carboxylate has a molecular weight of 324.45 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 104928402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).