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

C18H17FN2O2S — CID 683363

IUPAC2-[4-(3-fluoro-4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
SMILESCOc1ccc(-c2cs/c(=N\c3ccccc3)n2CCO)cc1F
InChIInChI=1S/C18H17FN2O2S/c1-23-17-8-7-13(11-15(17)19)16-12-24-18(21(16)9-10-22)20-14-5-3-2-4-6-14/h2-8,11-12,22H,9-10H2,1H3/b20-18-
InChIKeyDFCIIGSPWCXUDF-ZZEZOPTASA-N
MW344.41 g/mol
LogP3.59
Rot. Bonds5

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

2-[4-(3-fluoro-4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol (PubChem CID 683363) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[4-(3-fluoro-4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-fluoro-4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
PubChem CID683363
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name2-[4-(3-fluoro-4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
SMILESCOc1ccc(-c2cs/c(=N\c3ccccc3)n2CCO)cc1F
InChIInChI=1S/C18H17FN2O2S/c1-23-17-8-7-13(11-15(17)19)16-12-24-18(21(16)9-10-22)20-14-5-3-2-4-6-14/h2-8,11-12,22H,9-10H2,1H3/b20-18-
InChIKeyDFCIIGSPWCXUDF-ZZEZOPTASA-N
XLogP3.59
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-fluoro-4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[4-(3-fluoro-4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol (CID 683363) is 2-[4-(3-fluoro-4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[4-(3-fluoro-4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[4-(3-fluoro-4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol is COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCO)cc1F.
What is the InChIKey of 2-[4-(3-fluoro-4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
The InChIKey is DFCIIGSPWCXUDF-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-23-17-8-7-13(11-15(17)19)16-12-24-18(21(16)9-10-22)20-14-5-3-2-4-6-14/h2-8,11-12,22H,9-10H2,1H3/b20-18-.
What are the key properties of 2-[4-(3-fluoro-4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
2-[4-(3-fluoro-4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol has a molecular weight of 344.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 683363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).