4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol

C8H11BrN2OS — CID 114684155

IUPAC4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol
SMILESOC1(c2nc(Br)cs2)CCNCC1
InChIInChI=1S/C8H11BrN2OS/c9-6-5-13-7(11-6)8(12)1-3-10-4-2-8/h5,10,12H,1-4H2
InChIKeyWMKZPACHDCTFEK-UHFFFAOYSA-N
MW263.16 g/mol
LogP1.48
Rot. Bonds1

About 4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol

4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol (PubChem CID 114684155) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is 4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol
PubChem CID114684155
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC Name4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol
SMILESOC1(c2nc(Br)cs2)CCNCC1
InChIInChI=1S/C8H11BrN2OS/c9-6-5-13-7(11-6)8(12)1-3-10-4-2-8/h5,10,12H,1-4H2
InChIKeyWMKZPACHDCTFEK-UHFFFAOYSA-N
XLogP1.48
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Bromo-1,3-thiazol-2-yl)-4-piperidinol trifluoroacetate
CID 121349428
[4-(4-Bromo-1,3-thiazol-2-yl)piperidin-4-yl] 2,2,2-trifluoroacetate
CID 121349430
4-Bromo-2-(4-fluoropiperidin-4-yl)-1,3-thiazole
CID 83855092
4-(1,3-Thiazol-2-yl)piperidin-4-ol
CID 57420365
4-(4-Bromo-1,3-thiazol-2-yl)-1-methylpiperidin-4-ol
CID 58433128
4-(4-Bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylic acid
CID 67414811
1-Amino-4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol
CID 89785378
4-(4-Bromo-1,3-thiazol-2-yl)-1-tert-butylpiperidin-4-ol
CID 118075573
4-(4-Bromo-1,3-thiazol-2-yl)-1-but-3-enylpiperidin-4-ol
CID 123702682
[4-(4-Bromo-1,3-thiazol-2-yl)piperidin-4-yl] 2,2-dimethylpropanoate
CID 174675389
4-(4-Bromo-1,3-thiazol-2-yl)piperidin-4-ol;tert-butyl formate
CID 174675390
4-Bromo-2-(piperidin-4-yl)thiazole
CID 45788817

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol?
The IUPAC name of 4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol (CID 114684155) is 4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol.
What is the SMILES notation for 4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol?
The canonical SMILES for 4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol is OC1(c2nc(Br)cs2)CCNCC1.
What is the InChIKey of 4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol?
The InChIKey is WMKZPACHDCTFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c9-6-5-13-7(11-6)8(12)1-3-10-4-2-8/h5,10,12H,1-4H2.
What are the key properties of 4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol?
4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol has a molecular weight of 263.16 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol is sourced from PubChem (CID 114684155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).