3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one

C12H10N2O2S2 — CID 55238332

IUPAC3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCc1csc(Sc2ccc3c(c2)NC(=O)C3O)n1
InChIInChI=1S/C12H10N2O2S2/c1-6-5-17-12(13-6)18-7-2-3-8-9(4-7)14-11(16)10(8)15/h2-5,10,15H,1H3,(H,14,16)
InChIKeyOLYJYMKFXHHCSK-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.59
Rot. Bonds2

About 3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one

3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (PubChem CID 55238332) has the molecular formula C12H10N2O2S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
PubChem CID55238332
Molecular FormulaC12H10N2O2S2
Molecular Weight278.36 g/mol
Exact Mass278.02
IUPAC Name3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCc1csc(Sc2ccc3c(c2)NC(=O)C3O)n1
InChIInChI=1S/C12H10N2O2S2/c1-6-5-17-12(13-6)18-7-2-3-8-9(4-7)14-11(16)10(8)15/h2-5,10,15H,1H3,(H,14,16)
InChIKeyOLYJYMKFXHHCSK-UHFFFAOYSA-N
XLogP2.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (CID 55238332) is 3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is Cc1csc(Sc2ccc3c(c2)NC(=O)C3O)n1.
What is the InChIKey of 3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The InChIKey is OLYJYMKFXHHCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S2/c1-6-5-17-12(13-6)18-7-2-3-8-9(4-7)14-11(16)10(8)15/h2-5,10,15H,1H3,(H,14,16).
What are the key properties of 3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one has a molecular weight of 278.36 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 55238332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).