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

C19H19FN2O3S — CID 979656

IUPAC2-[4-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol
SMILESCOc1ccc(/N=c2\scc(-c3ccc(OC)cc3F)n2CCO)cc1
InChIInChI=1S/C19H19FN2O3S/c1-24-14-5-3-13(4-6-14)21-19-22(9-10-23)18(12-26-19)16-8-7-15(25-2)11-17(16)20/h3-8,11-12,23H,9-10H2,1-2H3/b21-19-
InChIKeyFDAHRHHHYHKHPL-VZCXRCSSSA-N
MW374.44 g/mol
LogP3.60
Rot. Bonds6

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

2-[4-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol (PubChem CID 979656) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[4-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol
PubChem CID979656
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC Name2-[4-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol
SMILESCOc1ccc(/N=c2\scc(-c3ccc(OC)cc3F)n2CCO)cc1
InChIInChI=1S/C19H19FN2O3S/c1-24-14-5-3-13(4-6-14)21-19-22(9-10-23)18(12-26-19)16-8-7-15(25-2)11-17(16)20/h3-8,11-12,23H,9-10H2,1-2H3/b21-19-
InChIKeyFDAHRHHHYHKHPL-VZCXRCSSSA-N
XLogP3.60
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[4-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol (CID 979656) is 2-[4-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[4-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[4-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol is COc1ccc(/N=c2\scc(-c3ccc(OC)cc3F)n2CCO)cc1.
What is the InChIKey of 2-[4-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol?
The InChIKey is FDAHRHHHYHKHPL-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-24-14-5-3-13(4-6-14)21-19-22(9-10-23)18(12-26-19)16-8-7-15(25-2)11-17(16)20/h3-8,11-12,23H,9-10H2,1-2H3/b21-19-.
What are the key properties of 2-[4-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol?
2-[4-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol has a molecular weight of 374.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 979656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).