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

C18H17IN2O2S — CID 1037726

IUPAC2-[4-(4-iodophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol
SMILESCOc1ccc(/N=c2\scc(-c3ccc(I)cc3)n2CCO)cc1
InChIInChI=1S/C18H17IN2O2S/c1-23-16-8-6-15(7-9-16)20-18-21(10-11-22)17(12-24-18)13-2-4-14(19)5-3-13/h2-9,12,22H,10-11H2,1H3/b20-18-
InChIKeyIWGUZNZYHDDRQH-ZZEZOPTASA-N
MW452.32 g/mol
LogP4.05
Rot. Bonds5

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

2-[4-(4-iodophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol (PubChem CID 1037726) has the molecular formula C18H17IN2O2S and a molecular weight of 452.32 g/mol. Its IUPAC name is 2-[4-(4-iodophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-iodophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol
PubChem CID1037726
Molecular FormulaC18H17IN2O2S
Molecular Weight452.32 g/mol
Exact Mass452.01
IUPAC Name2-[4-(4-iodophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol
SMILESCOc1ccc(/N=c2\scc(-c3ccc(I)cc3)n2CCO)cc1
InChIInChI=1S/C18H17IN2O2S/c1-23-16-8-6-15(7-9-16)20-18-21(10-11-22)17(12-24-18)13-2-4-14(19)5-3-13/h2-9,12,22H,10-11H2,1H3/b20-18-
InChIKeyIWGUZNZYHDDRQH-ZZEZOPTASA-N
XLogP4.05
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-iodophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[4-(4-iodophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol (CID 1037726) is 2-[4-(4-iodophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[4-(4-iodophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[4-(4-iodophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol is COc1ccc(/N=c2\scc(-c3ccc(I)cc3)n2CCO)cc1.
What is the InChIKey of 2-[4-(4-iodophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol?
The InChIKey is IWGUZNZYHDDRQH-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17IN2O2S/c1-23-16-8-6-15(7-9-16)20-18-21(10-11-22)17(12-24-18)13-2-4-14(19)5-3-13/h2-9,12,22H,10-11H2,1H3/b20-18-.
What are the key properties of 2-[4-(4-iodophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol?
2-[4-(4-iodophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol has a molecular weight of 452.32 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-iodophenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 1037726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).