3-(ethylamino)-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one

C14H16N4OS — CID 43586901

IUPAC3-(ethylamino)-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(Sc3nccn3C)ccc21
InChIInChI=1S/C14H16N4OS/c1-3-15-12-10-5-4-9(8-11(10)17-13(12)19)20-14-16-6-7-18(14)2/h4-8,12,15H,3H2,1-2H3,(H,17,19)
InChIKeyITMZFWNTTFCXDW-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.17
Rot. Bonds4

About 3-(ethylamino)-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one

3-(ethylamino)-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one (PubChem CID 43586901) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 3-(ethylamino)-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(ethylamino)-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one
PubChem CID43586901
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name3-(ethylamino)-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(Sc3nccn3C)ccc21
InChIInChI=1S/C14H16N4OS/c1-3-15-12-10-5-4-9(8-11(10)17-13(12)19)20-14-16-6-7-18(14)2/h4-8,12,15H,3H2,1-2H3,(H,17,19)
InChIKeyITMZFWNTTFCXDW-UHFFFAOYSA-N
XLogP2.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(ethylamino)-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one (CID 43586901) is 3-(ethylamino)-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(ethylamino)-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(ethylamino)-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(Sc3nccn3C)ccc21.
What is the InChIKey of 3-(ethylamino)-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one?
The InChIKey is ITMZFWNTTFCXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-3-15-12-10-5-4-9(8-11(10)17-13(12)19)20-14-16-6-7-18(14)2/h4-8,12,15H,3H2,1-2H3,(H,17,19).
What are the key properties of 3-(ethylamino)-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one?
3-(ethylamino)-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one has a molecular weight of 288.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-6-(1-methylimidazol-2-yl)sulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).