[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Thienyl)-5-thiazolylmethanol
CID 18673021
[2-(5-Chlorothiophen-2-yl)-1,3-thiazol-5-yl]methanol
CID 65575702
2-(5-Bromothiophen-2-yl)-5-methyl-1,3-thiazole
CID 66647294
2-(4,5-Dibromothiophen-2-yl)-5-methyl-1,3-thiazole
CID 122595311
2-(4-Bromo-5-isocyanothiophen-2-yl)-5-methyl-1,3-thiazole
CID 140744356
2-(5-Bromothiophen-2-yl)-1,3-thiazole-5-carboxylic acid
CID 43156457
2-(4-Bromothiophen-2-yl)-1,3-thiazole-5-carboxylic acid
CID 43156472
2-(5-Bromothiophen-2-yl)thiazole-5-carbaldehyde
CID 61281538
(2-(5-Bromothiophen-2-yl)thiazol-5-yl)methanamine
CID 61283113
1-(2-Thiophen-2-yl-1,3-thiazol-5-yl)ethanol
CID 62651772
1-[2-(4-Bromothiophen-2-yl)-1,3-thiazol-5-yl]ethanol
CID 64302080
1-[2-(5-Bromothiophen-2-yl)-1,3-thiazol-5-yl]ethanol
CID 64309900

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).