3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one

C14H10N2O2S2 — CID 1370080

IUPAC3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
SMILESC=CCn1c(O)c(C2=c3ccccc3=NC2=O)sc1=S
InChIInChI=1S/C14H10N2O2S2/c1-2-7-16-13(18)11(20-14(16)19)10-8-5-3-4-6-9(8)15-12(10)17/h2-6,18H,1,7H2
InChIKeyGXJJIBDJRDXPGU-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.53
Rot. Bonds3

About 3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one

3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one (PubChem CID 1370080) has the molecular formula C14H10N2O2S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one.

Molecular Properties

Compound Name3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
PubChem CID1370080
Molecular FormulaC14H10N2O2S2
Molecular Weight302.38 g/mol
Exact Mass302.02
IUPAC Name3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
SMILESC=CCn1c(O)c(C2=c3ccccc3=NC2=O)sc1=S
InChIInChI=1S/C14H10N2O2S2/c1-2-7-16-13(18)11(20-14(16)19)10-8-5-3-4-6-9(8)15-12(10)17/h2-6,18H,1,7H2
InChIKeyGXJJIBDJRDXPGU-UHFFFAOYSA-N
XLogP1.53
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(5-(5-chloro-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
CID 135886621
3-[5-(5-bromo-2-oxo(1H-benzo[d]azolidin-3-ylidene))-4-oxo-2-thioxo-1,3-thiazol idin-3-yl]propanoic acid
CID 1201129
(5E)-5-(2-hydroxy-3H-indol-3-ylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 1269517
[(5Z)-4-oxo-5-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
CID 1201139
(Z)-2-(4-oxo-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-3-yl)propanoic acid
CID 3282538
(3Z)-3-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one
CID 1909354
(3Z)-3-(3-Isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
CID 1524007
(3Z)-5-bromo-3-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one
CID 1901304
(3Z)-3-(3-amino-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-5-fluoro-1,3-dihydro-2H-indol-2-one
CID 1328894
[(5Z)-5-(5-fluoro-2-hydroxy-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
CID 1302409
(Z)-2-(4-oxo-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid
CID 4515349
3-(3-Hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
CID 3463127

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one?
The IUPAC name of 3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one (CID 1370080) is 3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one.
What is the SMILES notation for 3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one?
The canonical SMILES for 3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one is C=CCn1c(O)c(C2=c3ccccc3=NC2=O)sc1=S.
What is the InChIKey of 3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one?
The InChIKey is GXJJIBDJRDXPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S2/c1-2-7-16-13(18)11(20-14(16)19)10-8-5-3-4-6-9(8)15-12(10)17/h2-6,18H,1,7H2.
What are the key properties of 3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one?
3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one has a molecular weight of 302.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one is sourced from PubChem (CID 1370080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).