4-(4-fluorophenyl)-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-1,3-thiazole

C20H18FNOS — CID 6043812

IUPAC4-(4-fluorophenyl)-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-1,3-thiazole
SMILESCC(C)Oc1ccccc1/C=C/c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C20H18FNOS/c1-14(2)23-19-6-4-3-5-16(19)9-12-20-22-18(13-24-20)15-7-10-17(21)11-8-15/h3-14H,1-2H3/b12-9+
InChIKeyCRETZBBWLIWHOC-FMIVXFBMSA-N
MW339.44 g/mol
LogP5.91
Rot. Bonds5

About 4-(4-fluorophenyl)-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-1,3-thiazole

4-(4-fluorophenyl)-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-1,3-thiazole (PubChem CID 6043812) has the molecular formula C20H18FNOS and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-1,3-thiazole
PubChem CID6043812
Molecular FormulaC20H18FNOS
Molecular Weight339.44 g/mol
Exact Mass339.11
IUPAC Name4-(4-fluorophenyl)-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-1,3-thiazole
SMILESCC(C)Oc1ccccc1/C=C/c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C20H18FNOS/c1-14(2)23-19-6-4-3-5-16(19)9-12-20-22-18(13-24-20)15-7-10-17(21)11-8-15/h3-14H,1-2H3/b12-9+
InChIKeyCRETZBBWLIWHOC-FMIVXFBMSA-N
XLogP5.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-1,3-thiazole (CID 6043812) is 4-(4-fluorophenyl)-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-1,3-thiazole is CC(C)Oc1ccccc1/C=C/c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-1,3-thiazole?
The InChIKey is CRETZBBWLIWHOC-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H18FNOS/c1-14(2)23-19-6-4-3-5-16(19)9-12-20-22-18(13-24-20)15-7-10-17(21)11-8-15/h3-14H,1-2H3/b12-9+.
What are the key properties of 4-(4-fluorophenyl)-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-1,3-thiazole?
4-(4-fluorophenyl)-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-1,3-thiazole has a molecular weight of 339.44 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-1,3-thiazole is sourced from PubChem (CID 6043812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).