2-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]ethanol

C17H14F2N2OS — CID 695947

IUPAC2-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]ethanol
SMILESOCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(F)cc1
InChIInChI=1S/C17H14F2N2OS/c18-13-3-1-12(2-4-13)16-11-23-17(21(16)9-10-22)20-15-7-5-14(19)6-8-15/h1-8,11,22H,9-10H2/b20-17-
InChIKeyFOJCBMFUGXGTIJ-JZJYNLBNSA-N
MW332.38 g/mol
LogP3.72
Rot. Bonds4

About 2-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]ethanol

2-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]ethanol (PubChem CID 695947) has the molecular formula C17H14F2N2OS and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]ethanol
PubChem CID695947
Molecular FormulaC17H14F2N2OS
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name2-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]ethanol
SMILESOCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(F)cc1
InChIInChI=1S/C17H14F2N2OS/c18-13-3-1-12(2-4-13)16-11-23-17(21(16)9-10-22)20-15-7-5-14(19)6-8-15/h1-8,11,22H,9-10H2/b20-17-
InChIKeyFOJCBMFUGXGTIJ-JZJYNLBNSA-N
XLogP3.72
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]ethanol (CID 695947) is 2-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]ethanol is OCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]ethanol?
The InChIKey is FOJCBMFUGXGTIJ-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H14F2N2OS/c18-13-3-1-12(2-4-13)16-11-23-17(21(16)9-10-22)20-15-7-5-14(19)6-8-15/h1-8,11,22H,9-10H2/b20-17-.
What are the key properties of 2-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]ethanol?
2-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]ethanol has a molecular weight of 332.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 695947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).