1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone

C13H13N3OS2 — CID 892092

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
SMILESCc1nnc(SCC(=O)N2CCc3ccccc32)s1
InChIInChI=1S/C13H13N3OS2/c1-9-14-15-13(19-9)18-8-12(17)16-7-6-10-4-2-3-5-11(10)16/h2-5H,6-8H2,1H3
InChIKeySPSJTIXGRFBYDO-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.53
Rot. Bonds3

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

1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone (PubChem CID 892092) has the molecular formula C13H13N3OS2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
PubChem CID892092
Molecular FormulaC13H13N3OS2
Molecular Weight291.40 g/mol
Exact Mass291.05
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
SMILESCc1nnc(SCC(=O)N2CCc3ccccc32)s1
InChIInChI=1S/C13H13N3OS2/c1-9-14-15-13(19-9)18-8-12(17)16-7-6-10-4-2-3-5-11(10)16/h2-5H,6-8H2,1H3
InChIKeySPSJTIXGRFBYDO-UHFFFAOYSA-N
XLogP2.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone
CID 2991656
2-((4,5-Dihydrothiazol-2-yl)thio)-1-(indolin-1-yl)ethanone
CID 975894
2-(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 2997916
1-(2-Methyl-2,3-dihydroindol-1-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 4814798
1-(2,3-Dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one
CID 4878641
1-(2-Methyl-2,3-dihydro-indol-1-yl)-2-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-ethanone
CID 651057
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,6-tetramethylquinolin-1(2H)-yl)ethanone
CID 1167729
1-(3-Methylphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2916046
N-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 926580
7-[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 7197224
2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)-N-(m-tolyl)acetamide
CID 844121
1-[2,2-Dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone
CID 899540

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone (CID 892092) is 1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone is Cc1nnc(SCC(=O)N2CCc3ccccc32)s1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is SPSJTIXGRFBYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS2/c1-9-14-15-13(19-9)18-8-12(17)16-7-6-10-4-2-3-5-11(10)16/h2-5H,6-8H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 291.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 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-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 892092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).