[2-(3-bromofuran-2-yl)-1,3-thiazol-5-yl]methanol

C8H6BrNO2S — CID 106889598

IUPAC[2-(3-bromofuran-2-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(-c2occc2Br)s1
InChIInChI=1S/C8H6BrNO2S/c9-6-1-2-12-7(6)8-10-3-5(4-11)13-8/h1-3,11H,4H2
InChIKeyHTSYHSUMSCOAHC-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.66
Rot. Bonds2

About [2-(3-bromofuran-2-yl)-1,3-thiazol-5-yl]methanol

[2-(3-bromofuran-2-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 106889598) has the molecular formula C8H6BrNO2S and a molecular weight of 260.11 g/mol. Its IUPAC name is [2-(3-bromofuran-2-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-bromofuran-2-yl)-1,3-thiazol-5-yl]methanol
PubChem CID106889598
Molecular FormulaC8H6BrNO2S
Molecular Weight260.11 g/mol
Exact Mass258.93
IUPAC Name[2-(3-bromofuran-2-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(-c2occc2Br)s1
InChIInChI=1S/C8H6BrNO2S/c9-6-1-2-12-7(6)8-10-3-5(4-11)13-8/h1-3,11H,4H2
InChIKeyHTSYHSUMSCOAHC-UHFFFAOYSA-N
XLogP2.66
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-bromofuran-2-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(3-bromofuran-2-yl)-1,3-thiazol-5-yl]methanol (CID 106889598) is [2-(3-bromofuran-2-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(3-bromofuran-2-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(3-bromofuran-2-yl)-1,3-thiazol-5-yl]methanol is OCc1cnc(-c2occc2Br)s1.
What is the InChIKey of [2-(3-bromofuran-2-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is HTSYHSUMSCOAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO2S/c9-6-1-2-12-7(6)8-10-3-5(4-11)13-8/h1-3,11H,4H2.
What are the key properties of [2-(3-bromofuran-2-yl)-1,3-thiazol-5-yl]methanol?
[2-(3-bromofuran-2-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 260.11 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromofuran-2-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106889598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).