(4-bromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol

C8H6BrNOS2 — CID 131003195

IUPAC(4-bromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol
SMILESOC(c1ccns1)c1cscc1Br
InChIInChI=1S/C8H6BrNOS2/c9-6-4-12-3-5(6)8(11)7-1-2-10-13-7/h1-4,8,11H
InChIKeyQCRKLGKPQFWXPP-UHFFFAOYSA-N
MW276.18 g/mol
LogP3.05
Rot. Bonds2

About (4-bromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol

(4-bromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol (PubChem CID 131003195) has the molecular formula C8H6BrNOS2 and a molecular weight of 276.18 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol
PubChem CID131003195
Molecular FormulaC8H6BrNOS2
Molecular Weight276.18 g/mol
Exact Mass274.91
IUPAC Name(4-bromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol
SMILESOC(c1ccns1)c1cscc1Br
InChIInChI=1S/C8H6BrNOS2/c9-6-4-12-3-5(6)8(11)7-1-2-10-13-7/h1-4,8,11H
InChIKeyQCRKLGKPQFWXPP-UHFFFAOYSA-N
XLogP3.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-bromothiophen-3-yl)-(1,2-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

(5-Bromo-4-methylthiophen-2-yl)-(1,2-thiazol-5-yl)methanol
CID 130900893
(2-Chlorothiophen-3-yl)-(1,2-thiazol-5-yl)methanol
CID 130917854
1-(1,2-Thiazol-5-yl)-1-thiophen-3-ylethanol
CID 130942822
(4,5-Dimethylthiophen-2-yl)-(1,2-thiazol-5-yl)methanol
CID 131172119
(2,5-Dibromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol
CID 131172120

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol?
The IUPAC name of (4-bromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol (CID 131003195) is (4-bromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol?
The canonical SMILES for (4-bromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol is OC(c1ccns1)c1cscc1Br.
What is the InChIKey of (4-bromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol?
The InChIKey is QCRKLGKPQFWXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNOS2/c9-6-4-12-3-5(6)8(11)7-1-2-10-13-7/h1-4,8,11H.
What are the key properties of (4-bromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol?
(4-bromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol has a molecular weight of 276.18 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 131003195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).