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

C9H13BrN2OS — CID 114679675

IUPAC1-(4-bromo-1,3-thiazol-2-yl)-3-methylpiperidin-4-ol
SMILESCC1CN(c2nc(Br)cs2)CCC1O
InChIInChI=1S/C9H13BrN2OS/c1-6-4-12(3-2-7(6)13)9-11-8(10)5-14-9/h5-7,13H,2-4H2,1H3
InChIKeyKSFVFFFFKRDGAT-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.11
Rot. Bonds1

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

1-(4-bromo-1,3-thiazol-2-yl)-3-methylpiperidin-4-ol (PubChem CID 114679675) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 1-(4-bromo-1,3-thiazol-2-yl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-bromo-1,3-thiazol-2-yl)-3-methylpiperidin-4-ol
PubChem CID114679675
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name1-(4-bromo-1,3-thiazol-2-yl)-3-methylpiperidin-4-ol
SMILESCC1CN(c2nc(Br)cs2)CCC1O
InChIInChI=1S/C9H13BrN2OS/c1-6-4-12(3-2-7(6)13)9-11-8(10)5-14-9/h5-7,13H,2-4H2,1H3
InChIKeyKSFVFFFFKRDGAT-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-3-methylpiperidin-4-ol?
The IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-3-methylpiperidin-4-ol (CID 114679675) is 1-(4-bromo-1,3-thiazol-2-yl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(4-bromo-1,3-thiazol-2-yl)-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(4-bromo-1,3-thiazol-2-yl)-3-methylpiperidin-4-ol is CC1CN(c2nc(Br)cs2)CCC1O.
What is the InChIKey of 1-(4-bromo-1,3-thiazol-2-yl)-3-methylpiperidin-4-ol?
The InChIKey is KSFVFFFFKRDGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-6-4-12(3-2-7(6)13)9-11-8(10)5-14-9/h5-7,13H,2-4H2,1H3.
What are the key properties of 1-(4-bromo-1,3-thiazol-2-yl)-3-methylpiperidin-4-ol?
1-(4-bromo-1,3-thiazol-2-yl)-3-methylpiperidin-4-ol has a molecular weight of 277.19 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-thiazol-2-yl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 114679675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).