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

C15H25N3O3S — CID 174908487

IUPAC[1-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(Cc2ncc(CO)s2)CC1
InChIInChI=1S/C15H25N3O3S/c1-15(2,3)17-14(20)21-11-4-6-18(7-5-11)9-13-16-8-12(10-19)22-13/h8,11,19H,4-7,9-10H2,1-3H3,(H,17,20)
InChIKeyBHUUTCVXFBADMW-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.12
Rot. Bonds4

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

[1-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl] N-tert-butylcarbamate (PubChem CID 174908487) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is [1-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl] N-tert-butylcarbamate
PubChem CID174908487
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name[1-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(Cc2ncc(CO)s2)CC1
InChIInChI=1S/C15H25N3O3S/c1-15(2,3)17-14(20)21-11-4-6-18(7-5-11)9-13-16-8-12(10-19)22-13/h8,11,19H,4-7,9-10H2,1-3H3,(H,17,20)
InChIKeyBHUUTCVXFBADMW-UHFFFAOYSA-N
XLogP2.12
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl] 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 [1-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl] N-tert-butylcarbamate?
The IUPAC name of [1-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl] N-tert-butylcarbamate (CID 174908487) is [1-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl] N-tert-butylcarbamate.
What is the SMILES notation for [1-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl] N-tert-butylcarbamate?
The canonical SMILES for [1-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CCN(Cc2ncc(CO)s2)CC1.
What is the InChIKey of [1-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl] N-tert-butylcarbamate?
The InChIKey is BHUUTCVXFBADMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-15(2,3)17-14(20)21-11-4-6-18(7-5-11)9-13-16-8-12(10-19)22-13/h8,11,19H,4-7,9-10H2,1-3H3,(H,17,20).
What are the key properties of [1-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl] N-tert-butylcarbamate?
[1-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl] N-tert-butylcarbamate has a molecular weight of 327.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl] N-tert-butylcarbamate is sourced from PubChem (CID 174908487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).