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

C7H7BrN4OS — CID 106461391

IUPAC(5-bromo-3-methyltriazol-4-yl)-(1,3-thiazol-2-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1nccs1
InChIInChI=1S/C7H7BrN4OS/c1-12-4(6(8)10-11-12)5(13)7-9-2-3-14-7/h2-3,5,13H,1H3
InChIKeyHFUKKPLBMJJURV-UHFFFAOYSA-N
MW275.13 g/mol
LogP1.12
Rot. Bonds2

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

(5-bromo-3-methyltriazol-4-yl)-(1,3-thiazol-2-yl)methanol (PubChem CID 106461391) has the molecular formula C7H7BrN4OS and a molecular weight of 275.13 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(1,3-thiazol-2-yl)methanol
PubChem CID106461391
Molecular FormulaC7H7BrN4OS
Molecular Weight275.13 g/mol
Exact Mass273.95
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(1,3-thiazol-2-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1nccs1
InChIInChI=1S/C7H7BrN4OS/c1-12-4(6(8)10-11-12)5(13)7-9-2-3-14-7/h2-3,5,13H,1H3
InChIKeyHFUKKPLBMJJURV-UHFFFAOYSA-N
XLogP1.12
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-bromo-3-methyltriazol-4-yl)-(1,3-thiazol-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-methyl-1,3-thiazol-2-yl)methanol
CID 106461399
(5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
CID 106461139
(5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol
CID 106461142
(5-bromo-3-methyltriazol-4-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 106461168
(5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol
CID 106461393
(4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461442
(5-bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol
CID 106461206
(1-methylimidazol-4-yl)-(1,3-thiazol-2-yl)methanol
CID 130508756
(5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol
CID 106461135
(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol
CID 114638157
(5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine
CID 106464957
(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)-(1,3-thiazol-2-yl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(1,3-thiazol-2-yl)methanol (CID 106461391) is (5-bromo-3-methyltriazol-4-yl)-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(1,3-thiazol-2-yl)methanol is Cn1nnc(Br)c1C(O)c1nccs1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(1,3-thiazol-2-yl)methanol?
The InChIKey is HFUKKPLBMJJURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4OS/c1-12-4(6(8)10-11-12)5(13)7-9-2-3-14-7/h2-3,5,13H,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(1,3-thiazol-2-yl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(1,3-thiazol-2-yl)methanol has a molecular weight of 275.13 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 106461391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).