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

C18H16F2N2OS — CID 3603076

IUPAC3-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]propan-1-ol
SMILESOCCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(F)cc1
InChIInChI=1S/C18H16F2N2OS/c19-14-4-2-13(3-5-14)17-12-24-18(22(17)10-1-11-23)21-16-8-6-15(20)7-9-16/h2-9,12,23H,1,10-11H2/b21-18-
InChIKeyLXQLWDKNIWGILO-UZYVYHOESA-N
MW346.40 g/mol
LogP4.11
Rot. Bonds5

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

3-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]propan-1-ol (PubChem CID 3603076) has the molecular formula C18H16F2N2OS and a molecular weight of 346.40 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]propan-1-ol
PubChem CID3603076
Molecular FormulaC18H16F2N2OS
Molecular Weight346.40 g/mol
Exact Mass346.10
IUPAC Name3-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]propan-1-ol
SMILESOCCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(F)cc1
InChIInChI=1S/C18H16F2N2OS/c19-14-4-2-13(3-5-14)17-12-24-18(22(17)10-1-11-23)21-16-8-6-15(20)7-9-16/h2-9,12,23H,1,10-11H2/b21-18-
InChIKeyLXQLWDKNIWGILO-UZYVYHOESA-N
XLogP4.11
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 54.11
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 3-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]propan-1-ol?
The IUPAC name of 3-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]propan-1-ol (CID 3603076) is 3-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]propan-1-ol is OCCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(F)cc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]propan-1-ol?
The InChIKey is LXQLWDKNIWGILO-UZYVYHOESA-N. The full InChI is InChI=1S/C18H16F2N2OS/c19-14-4-2-13(3-5-14)17-12-24-18(22(17)10-1-11-23)21-16-8-6-15(20)7-9-16/h2-9,12,23H,1,10-11H2/b21-18-.
What are the key properties of 3-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]propan-1-ol?
3-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]propan-1-ol has a molecular weight of 346.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]propan-1-ol is sourced from PubChem (CID 3603076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).