1-(2,3-dihydroindol-1-yl)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone

C14H16N4OS — CID 2997524

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone
SMILESCCc1nnc(NCC(=O)N2CCc3ccccc32)s1
InChIInChI=1S/C14H16N4OS/c1-2-12-16-17-14(20-12)15-9-13(19)18-8-7-10-5-3-4-6-11(10)18/h3-6H,2,7-9H2,1H3,(H,15,17)
InChIKeyKPKCNWCXCFFDLY-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.10
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone

1-(2,3-dihydroindol-1-yl)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone (PubChem CID 2997524) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone
PubChem CID2997524
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone
SMILESCCc1nnc(NCC(=O)N2CCc3ccccc32)s1
InChIInChI=1S/C14H16N4OS/c1-2-12-16-17-14(20-12)15-9-13(19)18-8-7-10-5-3-4-6-11(10)18/h3-6H,2,7-9H2,1H3,(H,15,17)
InChIKeyKPKCNWCXCFFDLY-UHFFFAOYSA-N
XLogP2.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydroindol-1-yl)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone (CID 2997524) is 1-(2,3-dihydroindol-1-yl)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone is CCc1nnc(NCC(=O)N2CCc3ccccc32)s1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone?
The InChIKey is KPKCNWCXCFFDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-2-12-16-17-14(20-12)15-9-13(19)18-8-7-10-5-3-4-6-11(10)18/h3-6H,2,7-9H2,1H3,(H,15,17).
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone has a molecular weight of 288.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone is sourced from PubChem (CID 2997524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).