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

C13H10N2O2S — CID 170996879

IUPAC4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one
SMILESCn1c(O)c(/C=C2/C=Nc3ccccc32)sc1=O
InChIInChI=1S/C13H10N2O2S/c1-15-12(16)11(18-13(15)17)6-8-7-14-10-5-3-2-4-9(8)10/h2-7,16H,1H3/b8-6-
InChIKeyCPOWBPBNRPKAHW-VURMDHGXSA-N
MW258.30 g/mol
LogP2.41
Rot. Bonds1

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

4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one (PubChem CID 170996879) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one
PubChem CID170996879
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one
SMILESCn1c(O)c(/C=C2/C=Nc3ccccc32)sc1=O
InChIInChI=1S/C13H10N2O2S/c1-15-12(16)11(18-13(15)17)6-8-7-14-10-5-3-2-4-9(8)10/h2-7,16H,1H3/b8-6-
InChIKeyCPOWBPBNRPKAHW-VURMDHGXSA-N
XLogP2.41
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one
CID 137085171
4-hydroxy-3-methyl-5-(pyrrolo[2,3-c]pyridin-3-ylidenemethyl)-1,3-thiazol-2-one
CID 172770860
5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol
CID 1229080
3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
CID 135912325
4-hydroxy-5-(indol-3-ylidenemethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-one
CID 135912324
3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 137263318
3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 137263324
2-(3,4-dimethylphenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-4-ol
CID 135589537
ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate
CID 135440828
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3H-1,3-thiazol-2-one
CID 135420896
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one
CID 135968366
3-(4-ethoxyanilino)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 137262240

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one (CID 170996879) is 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one is Cn1c(O)c(/C=C2/C=Nc3ccccc32)sc1=O.
What is the InChIKey of 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one?
The InChIKey is CPOWBPBNRPKAHW-VURMDHGXSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-15-12(16)11(18-13(15)17)6-8-7-14-10-5-3-2-4-9(8)10/h2-7,16H,1H3/b8-6-.
What are the key properties of 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one?
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one has a molecular weight of 258.30 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 170996879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).