methyl (3S,4S)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylate

C12H18N2O2S — CID 129399501

IUPACmethyl (3S,4S)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylate
SMILESCOC(=O)[C@H]1CCN(Cc2cncs2)C[C@H]1C
InChIInChI=1S/C12H18N2O2S/c1-9-6-14(7-10-5-13-8-17-10)4-3-11(9)12(15)16-2/h5,8-9,11H,3-4,6-7H2,1-2H3/t9-,11+/m1/s1
InChIKeyNZWBTYWCFYGOMC-KOLCDFICSA-N
MW254.35 g/mol
LogP1.77
Rot. Bonds3

About methyl (3S,4S)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylate

methyl (3S,4S)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylate (PubChem CID 129399501) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is methyl (3S,4S)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (3S,4S)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylate
PubChem CID129399501
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Namemethyl (3S,4S)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylate
SMILESCOC(=O)[C@H]1CCN(Cc2cncs2)C[C@H]1C
InChIInChI=1S/C12H18N2O2S/c1-9-6-14(7-10-5-13-8-17-10)4-3-11(9)12(15)16-2/h5,8-9,11H,3-4,6-7H2,1-2H3/t9-,11+/m1/s1
InChIKeyNZWBTYWCFYGOMC-KOLCDFICSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (3S,4S)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidine-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

methyl 1-(2-amino-2-methylpropyl)-3-methylpiperidine-4-carboxylate
CID 120854764
methyl (3S,4R)-3-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylate
CID 124829938
1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
CID 141277856
N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 166600630
5-[[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazole
CID 163350350
methyl (3S,3aS,6aR)-2-(1,3-thiazol-5-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
CID 124829391
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 112644427
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 112640915
N,N-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 141415838
2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol
CID 112548978
methyl (3aR,6aR)-2-(1,3-thiazol-5-ylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
CID 97350493
4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide
CID 166339791

Frequently Asked Questions

What is the IUPAC name of methyl (3S,4S)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylate?
The IUPAC name of methyl (3S,4S)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylate (CID 129399501) is methyl (3S,4S)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl (3S,4S)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl (3S,4S)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylate is COC(=O)[C@H]1CCN(Cc2cncs2)C[C@H]1C.
What is the InChIKey of methyl (3S,4S)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylate?
The InChIKey is NZWBTYWCFYGOMC-KOLCDFICSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-6-14(7-10-5-13-8-17-10)4-3-11(9)12(15)16-2/h5,8-9,11H,3-4,6-7H2,1-2H3/t9-,11+/m1/s1.
What are the key properties of methyl (3S,4S)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylate?
methyl (3S,4S)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylate has a molecular weight of 254.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4S)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylate is sourced from PubChem (CID 129399501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).