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

C13H12ClN3OS2 — CID 79336337

IUPAC5-chloro-3-(methylamino)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Sc3nc(C)cs3)c(Cl)cc21
InChIInChI=1S/C13H12ClN3OS2/c1-6-5-19-13(16-6)20-10-4-9-7(3-8(10)14)11(15-2)12(18)17-9/h3-5,11,15H,1-2H3,(H,17,18)
InChIKeyCPHPMGMULKBALS-UHFFFAOYSA-N
MW325.85 g/mol
LogP3.47
Rot. Bonds3

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

5-chloro-3-(methylamino)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (PubChem CID 79336337) has the molecular formula C13H12ClN3OS2 and a molecular weight of 325.85 g/mol. Its IUPAC name is 5-chloro-3-(methylamino)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(methylamino)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
PubChem CID79336337
Molecular FormulaC13H12ClN3OS2
Molecular Weight325.85 g/mol
Exact Mass325.01
IUPAC Name5-chloro-3-(methylamino)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Sc3nc(C)cs3)c(Cl)cc21
InChIInChI=1S/C13H12ClN3OS2/c1-6-5-19-13(16-6)20-10-4-9-7(3-8(10)14)11(15-2)12(18)17-9/h3-5,11,15H,1-2H3,(H,17,18)
InChIKeyCPHPMGMULKBALS-UHFFFAOYSA-N
XLogP3.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.85
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methylamino)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(methylamino)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (CID 79336337) is 5-chloro-3-(methylamino)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(methylamino)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(methylamino)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(Sc3nc(C)cs3)c(Cl)cc21.
What is the InChIKey of 5-chloro-3-(methylamino)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The InChIKey is CPHPMGMULKBALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3OS2/c1-6-5-19-13(16-6)20-10-4-9-7(3-8(10)14)11(15-2)12(18)17-9/h3-5,11,15H,1-2H3,(H,17,18).
What are the key properties of 5-chloro-3-(methylamino)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
5-chloro-3-(methylamino)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one has a molecular weight of 325.85 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methylamino)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79336337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).