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

C14H15N3OS2 — CID 651057

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
SMILESCc1nnc(SCC(=O)N2c3ccccc3CC2C)s1
InChIInChI=1S/C14H15N3OS2/c1-9-7-11-5-3-4-6-12(11)17(9)13(18)8-19-14-16-15-10(2)20-14/h3-6,9H,7-8H2,1-2H3
InChIKeyPYHVKGSDLJSQGK-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.92
Rot. Bonds3

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

1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone (PubChem CID 651057) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
PubChem CID651057
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
SMILESCc1nnc(SCC(=O)N2c3ccccc3CC2C)s1
InChIInChI=1S/C14H15N3OS2/c1-9-7-11-5-3-4-6-12(11)17(9)13(18)8-19-14-16-15-10(2)20-14/h3-6,9H,7-8H2,1-2H3
InChIKeyPYHVKGSDLJSQGK-UHFFFAOYSA-N
XLogP2.92
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone (CID 651057) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone is Cc1nnc(SCC(=O)N2c3ccccc3CC2C)s1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is PYHVKGSDLJSQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-9-7-11-5-3-4-6-12(11)17(9)13(18)8-19-14-16-15-10(2)20-14/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 305.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 651057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).