2-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol

C13H9FN2OS2 — CID 1482068

IUPAC2-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
SMILESOc1csc(Cc2nc(-c3ccccc3F)cs2)n1
InChIInChI=1S/C13H9FN2OS2/c14-9-4-2-1-3-8(9)10-6-18-12(15-10)5-13-16-11(17)7-19-13/h1-4,6-7,17H,5H2
InChIKeyZFZWOBSJHSHRTN-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.70
Rot. Bonds3

About 2-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol

2-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol (PubChem CID 1482068) has the molecular formula C13H9FN2OS2 and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
PubChem CID1482068
Molecular FormulaC13H9FN2OS2
Molecular Weight292.36 g/mol
Exact Mass292.01
IUPAC Name2-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
SMILESOc1csc(Cc2nc(-c3ccccc3F)cs2)n1
InChIInChI=1S/C13H9FN2OS2/c14-9-4-2-1-3-8(9)10-6-18-12(15-10)5-13-16-11(17)7-19-13/h1-4,6-7,17H,5H2
InChIKeyZFZWOBSJHSHRTN-UHFFFAOYSA-N
XLogP3.70
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol (CID 1482068) is 2-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol is Oc1csc(Cc2nc(-c3ccccc3F)cs2)n1.
What is the InChIKey of 2-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol?
The InChIKey is ZFZWOBSJHSHRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS2/c14-9-4-2-1-3-8(9)10-6-18-12(15-10)5-13-16-11(17)7-19-13/h1-4,6-7,17H,5H2.
What are the key properties of 2-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol?
2-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol has a molecular weight of 292.36 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 1482068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).