3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one

C12H8N2O2S2 — CID 1225114

IUPAC3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one
SMILESCc1cccc2c1=NC(=O)C=2c1sc(=S)[nH]c1O
InChIInChI=1S/C12H8N2O2S2/c1-5-3-2-4-6-7(10(15)13-8(5)6)9-11(16)14-12(17)18-9/h2-4,16H,1H3,(H,14,17)
InChIKeyXXSYCXODUPSNPJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.18
Rot. Bonds1

About 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one

3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one (PubChem CID 1225114) has the molecular formula C12H8N2O2S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one.

Molecular Properties

Compound Name3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one
PubChem CID1225114
Molecular FormulaC12H8N2O2S2
Molecular Weight276.34 g/mol
Exact Mass276.00
IUPAC Name3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one
SMILESCc1cccc2c1=NC(=O)C=2c1sc(=S)[nH]c1O
InChIInChI=1S/C12H8N2O2S2/c1-5-3-2-4-6-7(10(15)13-8(5)6)9-11(16)14-12(17)18-9/h2-4,16H,1H3,(H,14,17)
InChIKeyXXSYCXODUPSNPJ-UHFFFAOYSA-N
XLogP1.18
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-(5-bromo-7-methyl-2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1377592
(5Z)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1268887
5-(2-Oxo-indolin-3-ylidene)-thiazolidine-2,4-dione
CID 1641795
5-Fluoro-3-(4-oxo-2-thioxo-thiazolidin-5-ylidene)-1,3-dihydro-indol-2-one
CID 1240986
(5E)-5-(2-hydroxy-3H-indol-3-ylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 1269517
7-ethyl-3-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
CID 1202309
(5Z)-5-(6-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1219093
(5Z)-5-(5-methoxy-2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1238707
N-[5-(5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetamide
CID 1240191
5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-3H-1,3-thiazol-2-one
CID 135906479
3-(3-Ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-7-fluoroindol-2-one
CID 137109018
(3Z)-3-(4-hydroxy-2-oxo-1,3-thiazol-5(2H)-ylidene)-5-methyl-1,3-dihydro-2H-indol-2-one
CID 1383950

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one?
The IUPAC name of 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one (CID 1225114) is 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one.
What is the SMILES notation for 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one?
The canonical SMILES for 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one is Cc1cccc2c1=NC(=O)C=2c1sc(=S)[nH]c1O.
What is the InChIKey of 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one?
The InChIKey is XXSYCXODUPSNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S2/c1-5-3-2-4-6-7(10(15)13-8(5)6)9-11(16)14-12(17)18-9/h2-4,16H,1H3,(H,14,17).
What are the key properties of 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one?
3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one is sourced from PubChem (CID 1225114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).