3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one

C18H10Cl2N2O2S — CID 137263324

IUPAC3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
SMILESO=c1sc(/C=C2/C=Nc3ccccc32)c(O)n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H10Cl2N2O2S/c19-13-6-5-11(8-14(13)20)22-17(23)16(25-18(22)24)7-10-9-21-15-4-2-1-3-12(10)15/h1-9,23H/b10-7-
InChIKeyFMEQQXYXEQBEBY-YFHOEESVSA-N
MW389.26 g/mol
LogP5.17
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one

3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one (PubChem CID 137263324) has the molecular formula C18H10Cl2N2O2S and a molecular weight of 389.26 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
PubChem CID137263324
Molecular FormulaC18H10Cl2N2O2S
Molecular Weight389.26 g/mol
Exact Mass387.98
IUPAC Name3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
SMILESO=c1sc(/C=C2/C=Nc3ccccc32)c(O)n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H10Cl2N2O2S/c19-13-6-5-11(8-14(13)20)22-17(23)16(25-18(22)24)7-10-9-21-15-4-2-1-3-12(10)15/h1-9,23H/b10-7-
InChIKeyFMEQQXYXEQBEBY-YFHOEESVSA-N
XLogP5.17
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.26
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 137263318
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one
CID 170996879
3-(3-chlorophenyl)-2-(3-chlorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135670347
3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
CID 3615060
4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one
CID 137085171
3-(3-chlorophenyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one
CID 2937683
2-[4-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidene-1,3-thiazol-3-yl]phenyl]acetic acid
CID 135995867
3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
CID 135912325
4-hydroxy-5-(indol-3-ylidenemethyl)-3-pyridin-3-yl-1,3-thiazole-2-thione
CID 1322802
N-(3-chloro-4-methylphenyl)-2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]acetamide
CID 4168442
3-(2-bromophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione
CID 137272295
ethyl 3-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzoate
CID 137266478

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one (CID 137263324) is 3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one is O=c1sc(/C=C2/C=Nc3ccccc32)c(O)n1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one?
The InChIKey is FMEQQXYXEQBEBY-YFHOEESVSA-N. The full InChI is InChI=1S/C18H10Cl2N2O2S/c19-13-6-5-11(8-14(13)20)22-17(23)16(25-18(22)24)7-10-9-21-15-4-2-1-3-12(10)15/h1-9,23H/b10-7-.
What are the key properties of 3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one?
3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one has a molecular weight of 389.26 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 137263324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).