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

C9H13BrN2OS — CID 58433128

IUPAC4-(4-bromo-1,3-thiazol-2-yl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2nc(Br)cs2)CC1
InChIInChI=1S/C9H13BrN2OS/c1-12-4-2-9(13,3-5-12)8-11-7(10)6-14-8/h6,13H,2-5H2,1H3
InChIKeyRAAKXJGHOYROSJ-UHFFFAOYSA-N
MW277.19 g/mol
LogP1.82
Rot. Bonds1

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

4-(4-bromo-1,3-thiazol-2-yl)-1-methylpiperidin-4-ol (PubChem CID 58433128) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 4-(4-bromo-1,3-thiazol-2-yl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromo-1,3-thiazol-2-yl)-1-methylpiperidin-4-ol
PubChem CID58433128
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name4-(4-bromo-1,3-thiazol-2-yl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2nc(Br)cs2)CC1
InChIInChI=1S/C9H13BrN2OS/c1-12-4-2-9(13,3-5-12)8-11-7(10)6-14-8/h6,13H,2-5H2,1H3
InChIKeyRAAKXJGHOYROSJ-UHFFFAOYSA-N
XLogP1.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1,3-thiazol-2-yl)-1-methylpiperidin-4-ol?
The IUPAC name of 4-(4-bromo-1,3-thiazol-2-yl)-1-methylpiperidin-4-ol (CID 58433128) is 4-(4-bromo-1,3-thiazol-2-yl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(4-bromo-1,3-thiazol-2-yl)-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(4-bromo-1,3-thiazol-2-yl)-1-methylpiperidin-4-ol is CN1CCC(O)(c2nc(Br)cs2)CC1.
What is the InChIKey of 4-(4-bromo-1,3-thiazol-2-yl)-1-methylpiperidin-4-ol?
The InChIKey is RAAKXJGHOYROSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-12-4-2-9(13,3-5-12)8-11-7(10)6-14-8/h6,13H,2-5H2,1H3.
What are the key properties of 4-(4-bromo-1,3-thiazol-2-yl)-1-methylpiperidin-4-ol?
4-(4-bromo-1,3-thiazol-2-yl)-1-methylpiperidin-4-ol has a molecular weight of 277.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 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)-1-methylpiperidin-4-ol is sourced from PubChem (CID 58433128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).