4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol;tert-butyl formate

C13H21BrN2O3S — CID 174675390

IUPAC4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol;tert-butyl formate
SMILESCC(C)(C)OC=O.OC1(c2nc(Br)cs2)CCNCC1
InChIInChI=1S/C8H11BrN2OS.C5H10O2/c9-6-5-13-7(11-6)8(12)1-3-10-4-2-8;1-5(2,3)7-4-6/h5,10,12H,1-4H2;4H,1-3H3
InChIKeyLMBOIFKZWWOSLU-UHFFFAOYSA-N
MW365.29 g/mol
LogP2.43
Rot. Bonds2

About 4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol;tert-butyl formate

4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol;tert-butyl formate (PubChem CID 174675390) has the molecular formula C13H21BrN2O3S and a molecular weight of 365.29 g/mol. Its IUPAC name is 4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol;tert-butyl formate.

Molecular Properties

Compound Name4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol;tert-butyl formate
PubChem CID174675390
Molecular FormulaC13H21BrN2O3S
Molecular Weight365.29 g/mol
Exact Mass364.05
IUPAC Name4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol;tert-butyl formate
SMILESCC(C)(C)OC=O.OC1(c2nc(Br)cs2)CCNCC1
InChIInChI=1S/C8H11BrN2OS.C5H10O2/c9-6-5-13-7(11-6)8(12)1-3-10-4-2-8;1-5(2,3)7-4-6/h5,10,12H,1-4H2;4H,1-3H3
InChIKeyLMBOIFKZWWOSLU-UHFFFAOYSA-N
XLogP2.43
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol;tert-butyl formate 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 4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol;tert-butyl formate?
The IUPAC name of 4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol;tert-butyl formate (CID 174675390) is 4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol;tert-butyl formate.
What is the SMILES notation for 4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol;tert-butyl formate?
The canonical SMILES for 4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol;tert-butyl formate is CC(C)(C)OC=O.OC1(c2nc(Br)cs2)CCNCC1.
What is the InChIKey of 4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol;tert-butyl formate?
The InChIKey is LMBOIFKZWWOSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS.C5H10O2/c9-6-5-13-7(11-6)8(12)1-3-10-4-2-8;1-5(2,3)7-4-6/h5,10,12H,1-4H2;4H,1-3H3.
What are the key properties of 4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol;tert-butyl formate?
4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol;tert-butyl formate has a molecular weight of 365.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol;tert-butyl formate is sourced from PubChem (CID 174675390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).