[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-5-yl]methanol

C8H5Br2NOS2 — CID 102845229

IUPAC[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(-c2cc(Br)c(Br)s2)s1
InChIInChI=1S/C8H5Br2NOS2/c9-5-1-6(14-7(5)10)8-11-2-4(3-12)13-8/h1-2,12H,3H2
InChIKeyWRWPWFMFMZUPGO-UHFFFAOYSA-N
MW355.08 g/mol
LogP3.89
Rot. Bonds2

About [2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-5-yl]methanol

[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 102845229) has the molecular formula C8H5Br2NOS2 and a molecular weight of 355.08 g/mol. Its IUPAC name is [2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-5-yl]methanol
PubChem CID102845229
Molecular FormulaC8H5Br2NOS2
Molecular Weight355.08 g/mol
Exact Mass352.82
IUPAC Name[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(-c2cc(Br)c(Br)s2)s1
InChIInChI=1S/C8H5Br2NOS2/c9-5-1-6(14-7(5)10)8-11-2-4(3-12)13-8/h1-2,12H,3H2
InChIKeyWRWPWFMFMZUPGO-UHFFFAOYSA-N
XLogP3.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.08
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-5-yl]methanol (CID 102845229) is [2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-5-yl]methanol is OCc1cnc(-c2cc(Br)c(Br)s2)s1.
What is the InChIKey of [2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is WRWPWFMFMZUPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2NOS2/c9-5-1-6(14-7(5)10)8-11-2-4(3-12)13-8/h1-2,12H,3H2.
What are the key properties of [2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-5-yl]methanol?
[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 355.08 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 102845229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).