[5-(2-fluorophenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol

C12H9FN4OS — CID 82220821

IUPAC[5-(2-fluorophenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2nccs2)c1-c1ccccc1F
InChIInChI=1S/C12H9FN4OS/c13-9-4-2-1-3-8(9)11-10(7-18)15-16-17(11)12-14-5-6-19-12/h1-6,18H,7H2
InChIKeyNZFOOPCCZOFACP-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.02
Rot. Bonds3

About [5-(2-fluorophenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol

[5-(2-fluorophenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol (PubChem CID 82220821) has the molecular formula C12H9FN4OS and a molecular weight of 276.30 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol
PubChem CID82220821
Molecular FormulaC12H9FN4OS
Molecular Weight276.30 g/mol
Exact Mass276.05
IUPAC Name[5-(2-fluorophenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2nccs2)c1-c1ccccc1F
InChIInChI=1S/C12H9FN4OS/c13-9-4-2-1-3-8(9)11-10(7-18)15-16-17(11)12-14-5-6-19-12/h1-6,18H,7H2
InChIKeyNZFOOPCCZOFACP-UHFFFAOYSA-N
XLogP2.02
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82220928
[5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine
CID 82221388
2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile
CID 82206438
[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]methanol
CID 56686720
[5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine
CID 82200276
[1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine
CID 82196565
5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220814
1-(1,3-thiazol-2-yl)-5-(2,3,4-trifluorophenyl)triazole-4-carbonitrile
CID 94962586
[5-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 82220800
5-(4-fluorophenyl)-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid
CID 82220746
[1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol
CID 94943384
[5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol
CID 82197077

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol?
The IUPAC name of [5-(2-fluorophenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol (CID 82220821) is [5-(2-fluorophenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol.
What is the SMILES notation for [5-(2-fluorophenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol?
The canonical SMILES for [5-(2-fluorophenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol is OCc1nnn(-c2nccs2)c1-c1ccccc1F.
What is the InChIKey of [5-(2-fluorophenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol?
The InChIKey is NZFOOPCCZOFACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4OS/c13-9-4-2-1-3-8(9)11-10(7-18)15-16-17(11)12-14-5-6-19-12/h1-6,18H,7H2.
What are the key properties of [5-(2-fluorophenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol?
[5-(2-fluorophenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol has a molecular weight of 276.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol is sourced from PubChem (CID 82220821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).