4-bromo-2-(1-methylpiperidin-4-yl)oxy-1,3-thiazole

C9H13BrN2OS — CID 79399114

IUPAC4-bromo-2-(1-methylpiperidin-4-yl)oxy-1,3-thiazole
SMILESCN1CCC(Oc2nc(Br)cs2)CC1
InChIInChI=1S/C9H13BrN2OS/c1-12-4-2-7(3-5-12)13-9-11-8(10)6-14-9/h6-7H,2-5H2,1H3
InChIKeyPGJLPVNOBHMKIT-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.38
Rot. Bonds2

About 4-bromo-2-(1-methylpiperidin-4-yl)oxy-1,3-thiazole

4-bromo-2-(1-methylpiperidin-4-yl)oxy-1,3-thiazole (PubChem CID 79399114) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 4-bromo-2-(1-methylpiperidin-4-yl)oxy-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(1-methylpiperidin-4-yl)oxy-1,3-thiazole
PubChem CID79399114
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name4-bromo-2-(1-methylpiperidin-4-yl)oxy-1,3-thiazole
SMILESCN1CCC(Oc2nc(Br)cs2)CC1
InChIInChI=1S/C9H13BrN2OS/c1-12-4-2-7(3-5-12)13-9-11-8(10)6-14-9/h6-7H,2-5H2,1H3
InChIKeyPGJLPVNOBHMKIT-UHFFFAOYSA-N
XLogP2.38
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-(1-methylpiperidin-4-yl)oxy-1,3-thiazole 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-bromo-2-(1-methylpiperidin-4-yl)oxy-1,3-thiazole?
The IUPAC name of 4-bromo-2-(1-methylpiperidin-4-yl)oxy-1,3-thiazole (CID 79399114) is 4-bromo-2-(1-methylpiperidin-4-yl)oxy-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(1-methylpiperidin-4-yl)oxy-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(1-methylpiperidin-4-yl)oxy-1,3-thiazole is CN1CCC(Oc2nc(Br)cs2)CC1.
What is the InChIKey of 4-bromo-2-(1-methylpiperidin-4-yl)oxy-1,3-thiazole?
The InChIKey is PGJLPVNOBHMKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-12-4-2-7(3-5-12)13-9-11-8(10)6-14-9/h6-7H,2-5H2,1H3.
What are the key properties of 4-bromo-2-(1-methylpiperidin-4-yl)oxy-1,3-thiazole?
4-bromo-2-(1-methylpiperidin-4-yl)oxy-1,3-thiazole has a molecular weight of 277.19 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-methylpiperidin-4-yl)oxy-1,3-thiazole is sourced from PubChem (CID 79399114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).