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

C17H14Cl2N2OS — CID 1254428

IUPAC2-[4-(3,4-dichlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
SMILESOCCn1c(-c2ccc(Cl)c(Cl)c2)cs/c1=N\c1ccccc1
InChIInChI=1S/C17H14Cl2N2OS/c18-14-7-6-12(10-15(14)19)16-11-23-17(21(16)8-9-22)20-13-4-2-1-3-5-13/h1-7,10-11,22H,8-9H2/b20-17-
InChIKeyKPLSASQZMBENHL-JZJYNLBNSA-N
MW365.29 g/mol
LogP4.75
Rot. Bonds4

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

2-[4-(3,4-dichlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol (PubChem CID 1254428) has the molecular formula C17H14Cl2N2OS and a molecular weight of 365.29 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3,4-dichlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
PubChem CID1254428
Molecular FormulaC17H14Cl2N2OS
Molecular Weight365.29 g/mol
Exact Mass364.02
IUPAC Name2-[4-(3,4-dichlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
SMILESOCCn1c(-c2ccc(Cl)c(Cl)c2)cs/c1=N\c1ccccc1
InChIInChI=1S/C17H14Cl2N2OS/c18-14-7-6-12(10-15(14)19)16-11-23-17(21(16)8-9-22)20-13-4-2-1-3-5-13/h1-7,10-11,22H,8-9H2/b20-17-
InChIKeyKPLSASQZMBENHL-JZJYNLBNSA-N
XLogP4.75
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 54.75
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[4-(3,4-dichlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol (CID 1254428) is 2-[4-(3,4-dichlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[4-(3,4-dichlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[4-(3,4-dichlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol is OCCn1c(-c2ccc(Cl)c(Cl)c2)cs/c1=N\c1ccccc1.
What is the InChIKey of 2-[4-(3,4-dichlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
The InChIKey is KPLSASQZMBENHL-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H14Cl2N2OS/c18-14-7-6-12(10-15(14)19)16-11-23-17(21(16)8-9-22)20-13-4-2-1-3-5-13/h1-7,10-11,22H,8-9H2/b20-17-.
What are the key properties of 2-[4-(3,4-dichlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol?
2-[4-(3,4-dichlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol has a molecular weight of 365.29 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 1254428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).