(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol

C12H9BrFN3OS — CID 106465440

IUPAC(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C12H9BrFN3OS/c1-17-10(12(13)15-16-17)11(18)9-5-6-4-7(14)2-3-8(6)19-9/h2-5,11,18H,1H3
InChIKeyJBLNPSQUCOUUQJ-UHFFFAOYSA-N
MW342.19 g/mol
LogP3.01
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol

(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol (PubChem CID 106465440) has the molecular formula C12H9BrFN3OS and a molecular weight of 342.19 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
PubChem CID106465440
Molecular FormulaC12H9BrFN3OS
Molecular Weight342.19 g/mol
Exact Mass340.96
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C12H9BrFN3OS/c1-17-10(12(13)15-16-17)11(18)9-5-6-4-7(14)2-3-8(6)19-9/h2-5,11,18H,1H3
InChIKeyJBLNPSQUCOUUQJ-UHFFFAOYSA-N
XLogP3.01
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-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-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol
CID 114030491
(5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
CID 103138856
(4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461442
(5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol
CID 105078220
(3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461184
(5-bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol
CID 106461206
(5-fluoro-1-benzothiophen-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 105096887
(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol
CID 106465474
(5-fluoro-1-benzothiophen-2-yl)-thiophen-3-ylmethanol
CID 105102714
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105107575
1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103028030
(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-3-methylphenyl)methanol
CID 106465421

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol (CID 106465440) is (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol is Cn1nnc(Br)c1C(O)c1cc2cc(F)ccc2s1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
The InChIKey is JBLNPSQUCOUUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3OS/c1-17-10(12(13)15-16-17)11(18)9-5-6-4-7(14)2-3-8(6)19-9/h2-5,11,18H,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol has a molecular weight of 342.19 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 106465440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).