3-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-dihydroindol-2-one

C12H13N5OS2 — CID 63738178

IUPAC3-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-dihydroindol-2-one
SMILESCN(C)c1nnc(Sc2ccc3c(c2)NC(=O)C3N)s1
InChIInChI=1S/C12H13N5OS2/c1-17(2)11-15-16-12(20-11)19-6-3-4-7-8(5-6)14-10(18)9(7)13/h3-5,9H,13H2,1-2H3,(H,14,18)
InChIKeyGGXJVDDSUVQVDH-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.71
Rot. Bonds3

About 3-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-dihydroindol-2-one

3-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-dihydroindol-2-one (PubChem CID 63738178) has the molecular formula C12H13N5OS2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-dihydroindol-2-one
PubChem CID63738178
Molecular FormulaC12H13N5OS2
Molecular Weight307.40 g/mol
Exact Mass307.06
IUPAC Name3-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-dihydroindol-2-one
SMILESCN(C)c1nnc(Sc2ccc3c(c2)NC(=O)C3N)s1
InChIInChI=1S/C12H13N5OS2/c1-17(2)11-15-16-12(20-11)19-6-3-4-7-8(5-6)14-10(18)9(7)13/h3-5,9H,13H2,1-2H3,(H,14,18)
InChIKeyGGXJVDDSUVQVDH-UHFFFAOYSA-N
XLogP1.71
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-dihydroindol-2-one (CID 63738178) is 3-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-dihydroindol-2-one is CN(C)c1nnc(Sc2ccc3c(c2)NC(=O)C3N)s1.
What is the InChIKey of 3-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-dihydroindol-2-one?
The InChIKey is GGXJVDDSUVQVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS2/c1-17(2)11-15-16-12(20-11)19-6-3-4-7-8(5-6)14-10(18)9(7)13/h3-5,9H,13H2,1-2H3,(H,14,18).
What are the key properties of 3-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-dihydroindol-2-one?
3-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-dihydroindol-2-one has a molecular weight of 307.40 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 63738178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).