2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole

C17H11FN2OS2 — CID 7756633

IUPAC2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
SMILESFc1ccc(-c2nc(CSc3nc4ccccc4o3)cs2)cc1
InChIInChI=1S/C17H11FN2OS2/c18-12-7-5-11(6-8-12)16-19-13(9-22-16)10-23-17-20-14-3-1-2-4-15(14)21-17/h1-9H,10H2
InChIKeyWEFJFESTVZPCHN-UHFFFAOYSA-N
MW342.42 g/mol
LogP5.38
Rot. Bonds4

About 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole

2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole (PubChem CID 7756633) has the molecular formula C17H11FN2OS2 and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
PubChem CID7756633
Molecular FormulaC17H11FN2OS2
Molecular Weight342.42 g/mol
Exact Mass342.03
IUPAC Name2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
SMILESFc1ccc(-c2nc(CSc3nc4ccccc4o3)cs2)cc1
InChIInChI=1S/C17H11FN2OS2/c18-12-7-5-11(6-8-12)16-19-13(9-22-16)10-23-17-20-14-3-1-2-4-15(14)21-17/h1-9H,10H2
InChIKeyWEFJFESTVZPCHN-UHFFFAOYSA-N
XLogP5.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.42
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole?
The IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole (CID 7756633) is 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole is Fc1ccc(-c2nc(CSc3nc4ccccc4o3)cs2)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole?
The InChIKey is WEFJFESTVZPCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2OS2/c18-12-7-5-11(6-8-12)16-19-13(9-22-16)10-23-17-20-14-3-1-2-4-15(14)21-17/h1-9H,10H2.
What are the key properties of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole?
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole has a molecular weight of 342.42 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole is sourced from PubChem (CID 7756633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).