3-[4-hydroxy-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]indol-2-one

C20H15N3O3S — CID 5185276

IUPAC3-[4-hydroxy-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]indol-2-one
SMILESC=CCn1c(O)c(C2=c3ccccc3=NC2=O)s/c1=N\c1cccc(O)c1
InChIInChI=1S/C20H15N3O3S/c1-2-10-23-19(26)17(16-14-8-3-4-9-15(14)22-18(16)25)27-20(23)21-12-6-5-7-13(24)11-12/h2-9,11,24,26H,1,10H2/b21-20-
InChIKeyVXRUQYWKRMORMF-MRCUWXFGSA-N
MW377.43 g/mol
LogP1.74
Rot. Bonds4

About 3-[4-hydroxy-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]indol-2-one

3-[4-hydroxy-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]indol-2-one (PubChem CID 5185276) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 3-[4-hydroxy-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[4-hydroxy-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]indol-2-one
PubChem CID5185276
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name3-[4-hydroxy-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]indol-2-one
SMILESC=CCn1c(O)c(C2=c3ccccc3=NC2=O)s/c1=N\c1cccc(O)c1
InChIInChI=1S/C20H15N3O3S/c1-2-10-23-19(26)17(16-14-8-3-4-9-15(14)22-18(16)25)27-20(23)21-12-6-5-7-13(24)11-12/h2-9,11,24,26H,1,10H2/b21-20-
InChIKeyVXRUQYWKRMORMF-MRCUWXFGSA-N
XLogP1.74
TPSA87.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(4-hydroxyphenyl)azamethylene]-5-(2-oxo(1H-benzo[d]azolin-3-ylidene))-3-pro p-2-enyl-1,3-thiazolidin-4-one
CID 1522346
(5Z)-3-(3-hydroxyphenyl)-5-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidine-2,4-dione
CID 1385863
6-Bromo-3-[4-hydroxy-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
CID 1416370
3-(3-hydroxyphenyl)-5-(2-oxo(1H-benzo[d]azolin-3-ylidene))-2-thioxo-1,3-thiazo lidin-4-one
CID 2046329
(3Z)-5-bromo-3-[3-(3-hydroxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one
CID 2046333
3-allyl-5-(3-ethyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene)-2-[(3-hydroxyphenyl)imino]-1,3-thiazolidin-4-one
CID 3098135
5-(3-Ethyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 4680759
3-[4-Hydroxy-2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]-5-methylindol-2-one
CID 5117910
5-Bromo-3-[4-hydroxy-2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]indol-2-one
CID 5117911
3-[4-Hydroxy-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]-5-methylindol-2-one
CID 5185277
5-Bromo-3-[4-hydroxy-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]indol-2-one
CID 5185278
(5E)-5-(3-ethyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 7032803

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 3-[4-hydroxy-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]indol-2-one (CID 5185276) is 3-[4-hydroxy-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[4-hydroxy-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[4-hydroxy-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]indol-2-one is C=CCn1c(O)c(C2=c3ccccc3=NC2=O)s/c1=N\c1cccc(O)c1.
What is the InChIKey of 3-[4-hydroxy-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is VXRUQYWKRMORMF-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-2-10-23-19(26)17(16-14-8-3-4-9-15(14)22-18(16)25)27-20(23)21-12-6-5-7-13(24)11-12/h2-9,11,24,26H,1,10H2/b21-20-.
What are the key properties of 3-[4-hydroxy-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]indol-2-one?
3-[4-hydroxy-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 377.43 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 5185276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).