[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate

C14H23N3O3S — CID 142744483

IUPAC[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1cnc(N2CCC(O)CC2)s1
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)16-13(19)20-9-11-8-15-12(21-11)17-6-4-10(18)5-7-17/h8,10,18H,4-7,9H2,1-3H3,(H,16,19)
InChIKeyLOWPIVCUDNBWSC-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.13
Rot. Bonds3

About [2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate

[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate (PubChem CID 142744483) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is [2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate
PubChem CID142744483
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1cnc(N2CCC(O)CC2)s1
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)16-13(19)20-9-11-8-15-12(21-11)17-6-4-10(18)5-7-17/h8,10,18H,4-7,9H2,1-3H3,(H,16,19)
InChIKeyLOWPIVCUDNBWSC-UHFFFAOYSA-N
XLogP2.13
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate 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 [2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate?
The IUPAC name of [2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate (CID 142744483) is [2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate.
What is the SMILES notation for [2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate?
The canonical SMILES for [2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCc1cnc(N2CCC(O)CC2)s1.
What is the InChIKey of [2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate?
The InChIKey is LOWPIVCUDNBWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-14(2,3)16-13(19)20-9-11-8-15-12(21-11)17-6-4-10(18)5-7-17/h8,10,18H,4-7,9H2,1-3H3,(H,16,19).
What are the key properties of [2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate?
[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate has a molecular weight of 313.42 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 142744483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).