(3-bromophenyl)-(1,2-thiazol-5-yl)methanol

C10H8BrNOS — CID 45158860

IUPAC(3-bromophenyl)-(1,2-thiazol-5-yl)methanol
SMILESOC(c1cccc(Br)c1)c1ccns1
InChIInChI=1S/C10H8BrNOS/c11-8-3-1-2-7(6-8)10(13)9-4-5-12-14-9/h1-6,10,13H
InChIKeyUOJHVOWMBUZTEZ-UHFFFAOYSA-N
MW270.15 g/mol
LogP2.99
Rot. Bonds2

About (3-bromophenyl)-(1,2-thiazol-5-yl)methanol

(3-bromophenyl)-(1,2-thiazol-5-yl)methanol (PubChem CID 45158860) has the molecular formula C10H8BrNOS and a molecular weight of 270.15 g/mol. Its IUPAC name is (3-bromophenyl)-(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-bromophenyl)-(1,2-thiazol-5-yl)methanol
PubChem CID45158860
Molecular FormulaC10H8BrNOS
Molecular Weight270.15 g/mol
Exact Mass268.95
IUPAC Name(3-bromophenyl)-(1,2-thiazol-5-yl)methanol
SMILESOC(c1cccc(Br)c1)c1ccns1
InChIInChI=1S/C10H8BrNOS/c11-8-3-1-2-7(6-8)10(13)9-4-5-12-14-9/h1-6,10,13H
InChIKeyUOJHVOWMBUZTEZ-UHFFFAOYSA-N
XLogP2.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(1,2-thiazol-5-yl)methanol?
The IUPAC name of (3-bromophenyl)-(1,2-thiazol-5-yl)methanol (CID 45158860) is (3-bromophenyl)-(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (3-bromophenyl)-(1,2-thiazol-5-yl)methanol?
The canonical SMILES for (3-bromophenyl)-(1,2-thiazol-5-yl)methanol is OC(c1cccc(Br)c1)c1ccns1.
What is the InChIKey of (3-bromophenyl)-(1,2-thiazol-5-yl)methanol?
The InChIKey is UOJHVOWMBUZTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS/c11-8-3-1-2-7(6-8)10(13)9-4-5-12-14-9/h1-6,10,13H.
What are the key properties of (3-bromophenyl)-(1,2-thiazol-5-yl)methanol?
(3-bromophenyl)-(1,2-thiazol-5-yl)methanol has a molecular weight of 270.15 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 45158860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).