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

C18H18N2O2S — CID 701126

IUPAC2-[4-(4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
SMILESCOc1ccc(-c2cs/c(=N\c3ccccc3)n2CCO)cc1
InChIInChI=1S/C18H18N2O2S/c1-22-16-9-7-14(8-10-16)17-13-23-18(20(17)11-12-21)19-15-5-3-2-4-6-15/h2-10,13,21H,11-12H2,1H3/b19-18-
InChIKeyMXCOCLUFTRMODY-HNENSFHCSA-N
MW326.42 g/mol
LogP3.45
Rot. Bonds5

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

2-[4-(4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol (PubChem CID 701126) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
PubChem CID701126
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name2-[4-(4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
SMILESCOc1ccc(-c2cs/c(=N\c3ccccc3)n2CCO)cc1
InChIInChI=1S/C18H18N2O2S/c1-22-16-9-7-14(8-10-16)17-13-23-18(20(17)11-12-21)19-15-5-3-2-4-6-15/h2-10,13,21H,11-12H2,1H3/b19-18-
InChIKeyMXCOCLUFTRMODY-HNENSFHCSA-N
XLogP3.45
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.45
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-(4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[4-(4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol (CID 701126) is 2-[4-(4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol is COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCO)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
The InChIKey is MXCOCLUFTRMODY-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-22-16-9-7-14(8-10-16)17-13-23-18(20(17)11-12-21)19-15-5-3-2-4-6-15/h2-10,13,21H,11-12H2,1H3/b19-18-.
What are the key properties of 2-[4-(4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
2-[4-(4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol has a molecular weight of 326.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 701126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).