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

C17H15FN2OS — CID 683356

IUPAC2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
SMILESOCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C17H15FN2OS/c18-14-8-6-13(7-9-14)16-12-22-17(20(16)10-11-21)19-15-4-2-1-3-5-15/h1-9,12,21H,10-11H2/b19-17-
InChIKeyFQJQTTBCIIPRSL-ZPHPHTNESA-N
MW314.38 g/mol
LogP3.58
Rot. Bonds4

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

2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol (PubChem CID 683356) has the molecular formula C17H15FN2OS and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
PubChem CID683356
Molecular FormulaC17H15FN2OS
Molecular Weight314.38 g/mol
Exact Mass314.09
IUPAC Name2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
SMILESOCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C17H15FN2OS/c18-14-8-6-13(7-9-14)16-12-22-17(20(16)10-11-21)19-15-4-2-1-3-5-15/h1-9,12,21H,10-11H2/b19-17-
InChIKeyFQJQTTBCIIPRSL-ZPHPHTNESA-N
XLogP3.58
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl{2-[4-phenyl-2-(phenylazamethylene)(1,3-thiazolin-3-yl)]ethyl}amine
CID 1537448
3-[(2Z)-4-(4-fluorophenyl)-2-[(4-fluorophenyl)imino]-1,3-thiazol-3(2H)-yl]propan-1-ol
CID 3603076
3-[(2Z)-4-phenyl-2-(phenylimino)-1,3-thiazol-3(2H)-yl]propan-1-ol
CID 16193629
3-[(2Z)-2-[(4-chlorophenyl)imino]-4-(4-fluorophenyl)-1,3-thiazol-3(2H)-yl]propan-1-ol
CID 1821636
N-(2-(3-Benzylthiazolidylidene))aniline
CID 115915
2-[(2Z)-2-[(4-fluorophenyl)imino]-4-(4-methylphenyl)-1,3-thiazol-3(2H)-yl]ethanol
CID 695761
2-[(2Z)-4-(4-fluorophenyl)-2-[(3-methylphenyl)imino]-1,3-thiazol-3(2H)-yl]ethanol
CID 753156
3-(4-Phenyl-2-phenylimino-1,3-thiazol-3-yl)propan-1-ol
CID 3615081
3-[(2Z)-4-(4-methylphenyl)-2-(phenylimino)-1,3-thiazol-3(2H)-yl]propan-1-ol
CID 3883792
2-[(2Z)-2-[(3-Chlorophenyl)imino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazol-3-YL]ethan-1-OL
CID 4078267
2-(4-(4-fluorophenyl)-2-(phenylimino)-1,3-thiazol-3(2H)-yl)ethanol
CID 15944945
2-(4-phenyl-2-(phenylimino)-1,3-thiazol-3(2H)-yl)ethanol
CID 15945655

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol (CID 683356) is 2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol is OCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
The InChIKey is FQJQTTBCIIPRSL-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15FN2OS/c18-14-8-6-13(7-9-14)16-12-22-17(20(16)10-11-21)19-15-4-2-1-3-5-15/h1-9,12,21H,10-11H2/b19-17-.
What are the key properties of 2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
2-[4-(4-fluorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol has a molecular weight of 314.38 g/mol, XLogP of 3.58, 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-phenylimino-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 683356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).