1-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-3H-indol-2-one

C13H11N3O2S2 — CID 8936118

IUPAC1-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)CSc3nncs3)ccc21
InChIInChI=1S/C13H11N3O2S2/c1-16-10-3-2-8(4-9(10)5-12(16)18)11(17)6-19-13-15-14-7-20-13/h2-4,7H,5-6H2,1H3
InChIKeyRDVHPQSPZSYKRR-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.03
Rot. Bonds4

About 1-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-3H-indol-2-one

1-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-3H-indol-2-one (PubChem CID 8936118) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-3H-indol-2-one
PubChem CID8936118
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC Name1-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)CSc3nncs3)ccc21
InChIInChI=1S/C13H11N3O2S2/c1-16-10-3-2-8(4-9(10)5-12(16)18)11(17)6-19-13-15-14-7-20-13/h2-4,7H,5-6H2,1H3
InChIKeyRDVHPQSPZSYKRR-UHFFFAOYSA-N
XLogP2.03
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(2,6-dichlorophenyl)sulfanylacetyl]-1-methyl-3H-indol-2-one
CID 8575723
1-(3,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43413969
1-(4-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43413959
1-(4-tert-butylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 52890591
5-[2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-methyl-3H-indol-2-one
CID 8889956
N-[2-hydroxy-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]phenyl]acetamide
CID 17411757
1-methyl-5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3H-indol-2-one
CID 8554681
5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one
CID 116915591
1-methyl-5-(2-phenylacetyl)-3H-indol-2-one
CID 43339443
1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43226523
1-methyl-5-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3H-indol-2-one
CID 8738081
1-methyl-5-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-3H-indol-2-one
CID 8972362

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-3H-indol-2-one?
The IUPAC name of 1-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-3H-indol-2-one (CID 8936118) is 1-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-3H-indol-2-one is CN1C(=O)Cc2cc(C(=O)CSc3nncs3)ccc21.
What is the InChIKey of 1-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-3H-indol-2-one?
The InChIKey is RDVHPQSPZSYKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-16-10-3-2-8(4-9(10)5-12(16)18)11(17)6-19-13-15-14-7-20-13/h2-4,7H,5-6H2,1H3.
What are the key properties of 1-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-3H-indol-2-one?
1-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-3H-indol-2-one has a molecular weight of 305.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-3H-indol-2-one is sourced from PubChem (CID 8936118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).