5-amino-6-[(5-methylthiophen-2-yl)methylamino]-1,3-dihydroindol-2-one

C14H15N3OS — CID 62057206

IUPAC5-amino-6-[(5-methylthiophen-2-yl)methylamino]-1,3-dihydroindol-2-one
SMILESCc1ccc(CNc2cc3c(cc2N)CC(=O)N3)s1
InChIInChI=1S/C14H15N3OS/c1-8-2-3-10(19-8)7-16-13-6-12-9(4-11(13)15)5-14(18)17-12/h2-4,6,16H,5,7,15H2,1H3,(H,17,18)
InChIKeySHOGARDHLOXBOD-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.75
Rot. Bonds3

About 5-amino-6-[(5-methylthiophen-2-yl)methylamino]-1,3-dihydroindol-2-one

5-amino-6-[(5-methylthiophen-2-yl)methylamino]-1,3-dihydroindol-2-one (PubChem CID 62057206) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 5-amino-6-[(5-methylthiophen-2-yl)methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[(5-methylthiophen-2-yl)methylamino]-1,3-dihydroindol-2-one
PubChem CID62057206
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name5-amino-6-[(5-methylthiophen-2-yl)methylamino]-1,3-dihydroindol-2-one
SMILESCc1ccc(CNc2cc3c(cc2N)CC(=O)N3)s1
InChIInChI=1S/C14H15N3OS/c1-8-2-3-10(19-8)7-16-13-6-12-9(4-11(13)15)5-14(18)17-12/h2-4,6,16H,5,7,15H2,1H3,(H,17,18)
InChIKeySHOGARDHLOXBOD-UHFFFAOYSA-N
XLogP2.75
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-[(5-methylfuran-2-yl)methylamino]-1,3-dihydroindol-2-one
CID 62524524
5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 106899271
5-amino-6-[(2-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 64680882
5-amino-6-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one
CID 43451710
5-amino-6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one
CID 54982616
5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one
CID 62480998
5-amino-6-[(1-methylcyclopropyl)methylamino]-1,3-dihydroindol-2-one
CID 114099165
5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 43451706
5-amino-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1,3-dihydroindol-2-one
CID 79224507
5-amino-6-(pyridin-3-ylmethylamino)-1,3-dihydroindol-2-one
CID 43451711
5-amino-6-[(1-methylimidazol-2-yl)methylamino]-1,3-dihydroindol-2-one
CID 63293613
5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one
CID 113491919

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(5-methylthiophen-2-yl)methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[(5-methylthiophen-2-yl)methylamino]-1,3-dihydroindol-2-one (CID 62057206) is 5-amino-6-[(5-methylthiophen-2-yl)methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[(5-methylthiophen-2-yl)methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[(5-methylthiophen-2-yl)methylamino]-1,3-dihydroindol-2-one is Cc1ccc(CNc2cc3c(cc2N)CC(=O)N3)s1.
What is the InChIKey of 5-amino-6-[(5-methylthiophen-2-yl)methylamino]-1,3-dihydroindol-2-one?
The InChIKey is SHOGARDHLOXBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-8-2-3-10(19-8)7-16-13-6-12-9(4-11(13)15)5-14(18)17-12/h2-4,6,16H,5,7,15H2,1H3,(H,17,18).
What are the key properties of 5-amino-6-[(5-methylthiophen-2-yl)methylamino]-1,3-dihydroindol-2-one?
5-amino-6-[(5-methylthiophen-2-yl)methylamino]-1,3-dihydroindol-2-one has a molecular weight of 273.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(5-methylthiophen-2-yl)methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 62057206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).