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

C18H17FN2OS — CID 695761

IUPAC2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
SMILESCc1ccc(-c2cs/c(=N\c3ccc(F)cc3)n2CCO)cc1
InChIInChI=1S/C18H17FN2OS/c1-13-2-4-14(5-3-13)17-12-23-18(21(17)10-11-22)20-16-8-6-15(19)7-9-16/h2-9,12,22H,10-11H2,1H3/b20-18-
InChIKeyOFPKCIARITYNSX-ZZEZOPTASA-N
MW328.41 g/mol
LogP3.89
Rot. Bonds4

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

2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol (PubChem CID 695761) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
PubChem CID695761
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC Name2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
SMILESCc1ccc(-c2cs/c(=N\c3ccc(F)cc3)n2CCO)cc1
InChIInChI=1S/C18H17FN2OS/c1-13-2-4-14(5-3-13)17-12-23-18(21(17)10-11-22)20-16-8-6-15(19)7-9-16/h2-9,12,22H,10-11H2,1H3/b20-18-
InChIKeyOFPKCIARITYNSX-ZZEZOPTASA-N
XLogP3.89
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.89
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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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
3(2H)-Thiazoleethanol, 4-(4-fluorophenyl)-2-(phenylimino)-, (2Z)-
CID 683356
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
4-Thiazoline, 4-(4-fluorophenyl)-3-methyl-2-(phenylimino)-
CID 625006

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol (CID 695761) is 2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol is Cc1ccc(-c2cs/c(=N\c3ccc(F)cc3)n2CCO)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol?
The InChIKey is OFPKCIARITYNSX-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17FN2OS/c1-13-2-4-14(5-3-13)17-12-23-18(21(17)10-11-22)20-16-8-6-15(19)7-9-16/h2-9,12,22H,10-11H2,1H3/b20-18-.
What are the key properties of 2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol?
2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol has a molecular weight of 328.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 695761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).