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

C8H9BrN4OS — CID 106461399

IUPAC(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanol
SMILESCc1csc(C(O)c2c(Br)nnn2C)n1
InChIInChI=1S/C8H9BrN4OS/c1-4-3-15-8(10-4)6(14)5-7(9)11-12-13(5)2/h3,6,14H,1-2H3
InChIKeyMNQWKTMSEIWJIE-UHFFFAOYSA-N
MW289.16 g/mol
LogP1.42
Rot. Bonds2

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

(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanol (PubChem CID 106461399) has the molecular formula C8H9BrN4OS and a molecular weight of 289.16 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanol
PubChem CID106461399
Molecular FormulaC8H9BrN4OS
Molecular Weight289.16 g/mol
Exact Mass287.97
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanol
SMILESCc1csc(C(O)c2c(Br)nnn2C)n1
InChIInChI=1S/C8H9BrN4OS/c1-4-3-15-8(10-4)6(14)5-7(9)11-12-13(5)2/h3,6,14H,1-2H3
InChIKeyMNQWKTMSEIWJIE-UHFFFAOYSA-N
XLogP1.42
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(1,3-thiazol-2-yl)methanol
CID 106461391
(5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
CID 106461139
(5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanol
CID 106465689
(5-bromo-3-methyltriazol-4-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 106461168
(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
(4-methyl-1,3-thiazol-2-yl)-phenylmethanol
CID 55201426
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 106465440
(5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol
CID 106461393
(5-bromo-3-methyltriazol-4-yl)-(5-ethylfuran-2-yl)methanol
CID 106461197
(3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461184
(2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461945

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanol (CID 106461399) is (5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanol is Cc1csc(C(O)c2c(Br)nnn2C)n1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanol?
The InChIKey is MNQWKTMSEIWJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4OS/c1-4-3-15-8(10-4)6(14)5-7(9)11-12-13(5)2/h3,6,14H,1-2H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanol has a molecular weight of 289.16 g/mol, XLogP of 1.42, 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)-(4-methyl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 106461399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).