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

C12H9ClN2O2S2 — CID 79336425

IUPAC5-chloro-3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCc1csc(Sc2cc3c(cc2Cl)C(O)C(=O)N3)n1
InChIInChI=1S/C12H9ClN2O2S2/c1-5-4-18-12(14-5)19-9-3-8-6(2-7(9)13)10(16)11(17)15-8/h2-4,10,16H,1H3,(H,15,17)
InChIKeyOPHNYXNEVLZMDT-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.24
Rot. Bonds2

About 5-chloro-3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one

5-chloro-3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (PubChem CID 79336425) has the molecular formula C12H9ClN2O2S2 and a molecular weight of 312.80 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
PubChem CID79336425
Molecular FormulaC12H9ClN2O2S2
Molecular Weight312.80 g/mol
Exact Mass311.98
IUPAC Name5-chloro-3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCc1csc(Sc2cc3c(cc2Cl)C(O)C(=O)N3)n1
InChIInChI=1S/C12H9ClN2O2S2/c1-5-4-18-12(14-5)19-9-3-8-6(2-7(9)13)10(16)11(17)15-8/h2-4,10,16H,1H3,(H,15,17)
InChIKeyOPHNYXNEVLZMDT-UHFFFAOYSA-N
XLogP3.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (CID 79336425) is 5-chloro-3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is Cc1csc(Sc2cc3c(cc2Cl)C(O)C(=O)N3)n1.
What is the InChIKey of 5-chloro-3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The InChIKey is OPHNYXNEVLZMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2S2/c1-5-4-18-12(14-5)19-9-3-8-6(2-7(9)13)10(16)11(17)15-8/h2-4,10,16H,1H3,(H,15,17).
What are the key properties of 5-chloro-3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
5-chloro-3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one has a molecular weight of 312.80 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79336425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).