(5-bromothiophen-3-yl)-(2-methyltriazol-4-yl)methanol

C8H8BrN3OS — CID 126985506

IUPAC(5-bromothiophen-3-yl)-(2-methyltriazol-4-yl)methanol
SMILESCn1ncc(C(O)c2csc(Br)c2)n1
InChIInChI=1S/C8H8BrN3OS/c1-12-10-3-6(11-12)8(13)5-2-7(9)14-4-5/h2-4,8,13H,1H3
InChIKeyGPWLZZMYYNJHIN-UHFFFAOYSA-N
MW274.14 g/mol
LogP1.72
Rot. Bonds2

About (5-bromothiophen-3-yl)-(2-methyltriazol-4-yl)methanol

(5-bromothiophen-3-yl)-(2-methyltriazol-4-yl)methanol (PubChem CID 126985506) has the molecular formula C8H8BrN3OS and a molecular weight of 274.14 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(2-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(2-methyltriazol-4-yl)methanol
PubChem CID126985506
Molecular FormulaC8H8BrN3OS
Molecular Weight274.14 g/mol
Exact Mass272.96
IUPAC Name(5-bromothiophen-3-yl)-(2-methyltriazol-4-yl)methanol
SMILESCn1ncc(C(O)c2csc(Br)c2)n1
InChIInChI=1S/C8H8BrN3OS/c1-12-10-3-6(11-12)8(13)5-2-7(9)14-4-5/h2-4,8,13H,1H3
InChIKeyGPWLZZMYYNJHIN-UHFFFAOYSA-N
XLogP1.72
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-bromothiophen-3-yl)-(2-methyltriazol-4-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-Methyltriazol-4-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
CID 112745722
(3-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494600
(5-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494626
(4-bromothiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494632
2-thiophen-3-yl-1-(2H-triazol-4-yl)ethanol
CID 80494782
thiophen-3-yl(2H-triazol-4-yl)methanol
CID 80494810
(2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 102831489
(2-Methylthiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
CID 102842372
(2-Phenyltriazol-4-yl)-thiophen-3-ylmethanol
CID 105102746
(4-Bromothiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105113100
(4-Bromothiophen-3-yl)-(2-phenyltriazol-4-yl)methanol
CID 105113229
(5-Bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
CID 105126972

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(2-methyltriazol-4-yl)methanol?
The IUPAC name of (5-bromothiophen-3-yl)-(2-methyltriazol-4-yl)methanol (CID 126985506) is (5-bromothiophen-3-yl)-(2-methyltriazol-4-yl)methanol.
What is the SMILES notation for (5-bromothiophen-3-yl)-(2-methyltriazol-4-yl)methanol?
The canonical SMILES for (5-bromothiophen-3-yl)-(2-methyltriazol-4-yl)methanol is Cn1ncc(C(O)c2csc(Br)c2)n1.
What is the InChIKey of (5-bromothiophen-3-yl)-(2-methyltriazol-4-yl)methanol?
The InChIKey is GPWLZZMYYNJHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3OS/c1-12-10-3-6(11-12)8(13)5-2-7(9)14-4-5/h2-4,8,13H,1H3.
What are the key properties of (5-bromothiophen-3-yl)-(2-methyltriazol-4-yl)methanol?
(5-bromothiophen-3-yl)-(2-methyltriazol-4-yl)methanol has a molecular weight of 274.14 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(2-methyltriazol-4-yl)methanol is sourced from PubChem (CID 126985506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).