(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylthiophen-2-yl)methanol

C9H9BrClN3OS — CID 106465454

IUPAC(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
SMILESCc1csc(C(O)c2c(Br)nnn2C)c1Cl
InChIInChI=1S/C9H9BrClN3OS/c1-4-3-16-8(5(4)11)7(15)6-9(10)12-13-14(6)2/h3,7,15H,1-2H3
InChIKeyKCLCNPOPQLRJHI-UHFFFAOYSA-N
MW322.62 g/mol
LogP2.68
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylthiophen-2-yl)methanol

(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylthiophen-2-yl)methanol (PubChem CID 106465454) has the molecular formula C9H9BrClN3OS and a molecular weight of 322.62 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
PubChem CID106465454
Molecular FormulaC9H9BrClN3OS
Molecular Weight322.62 g/mol
Exact Mass320.93
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
SMILESCc1csc(C(O)c2c(Br)nnn2C)c1Cl
InChIInChI=1S/C9H9BrClN3OS/c1-4-3-16-8(5(4)11)7(15)6-9(10)12-13-14(6)2/h3,7,15H,1-2H3
InChIKeyKCLCNPOPQLRJHI-UHFFFAOYSA-N
XLogP2.68
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.62
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylthiophen-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

(3-Chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 103408272
1-(5-Bromo-3-methyltriazol-4-yl)-1-thiophen-2-ylethanol
CID 106461100
(5-Bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
CID 106461139
(5-Bromo-3-methyltriazol-4-yl)-thiophen-2-ylmethanol
CID 106461147
(5-Bromo-3-methyltriazol-4-yl)-(3-methylthiophen-2-yl)methanol
CID 106461166
(5-Bromo-3-methyltriazol-4-yl)-(5-methylthiophen-2-yl)methanol
CID 106461173
(5-Bromo-3-methyltriazol-4-yl)-(5-chlorothiophen-2-yl)methanol
CID 106461195
(5-Bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol
CID 106461206
(5-Bromo-3-methyltriazol-4-yl)-(2,5-dimethylthiophen-3-yl)methanol
CID 106461210
1-(5-Bromo-3-methyltriazol-4-yl)-1-(3-methylthiophen-2-yl)ethanol
CID 106461235
(5-Bromo-3-methyltriazol-4-yl)-(4-chlorothiophen-2-yl)methanol
CID 106461297
(5-Bromo-3-methyltriazol-4-yl)-(5-tert-butylthiophen-2-yl)methanol
CID 106461340

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylthiophen-2-yl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylthiophen-2-yl)methanol (CID 106465454) is (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylthiophen-2-yl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylthiophen-2-yl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylthiophen-2-yl)methanol is Cc1csc(C(O)c2c(Br)nnn2C)c1Cl.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylthiophen-2-yl)methanol?
The InChIKey is KCLCNPOPQLRJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN3OS/c1-4-3-16-8(5(4)11)7(15)6-9(10)12-13-14(6)2/h3,7,15H,1-2H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylthiophen-2-yl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylthiophen-2-yl)methanol has a molecular weight of 322.62 g/mol, XLogP of 2.68, 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)-(3-chloro-4-methylthiophen-2-yl)methanol is sourced from PubChem (CID 106465454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).