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

C14H15N3OS2 — CID 4878641

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one
SMILESCc1nnc(SC(C)C(=O)N2CCc3ccccc32)s1
InChIInChI=1S/C14H15N3OS2/c1-9(19-14-16-15-10(2)20-14)13(18)17-8-7-11-5-3-4-6-12(11)17/h3-6,9H,7-8H2,1-2H3
InChIKeySJQZOPNRTGZAGR-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.92
Rot. Bonds3

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

1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one (PubChem CID 4878641) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one
PubChem CID4878641
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one
SMILESCc1nnc(SC(C)C(=O)N2CCc3ccccc32)s1
InChIInChI=1S/C14H15N3OS2/c1-9(19-14-16-15-10(2)20-14)13(18)17-8-7-11-5-3-4-6-12(11)17/h3-6,9H,7-8H2,1-2H3
InChIKeySJQZOPNRTGZAGR-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-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one (CID 4878641) is 1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one is Cc1nnc(SC(C)C(=O)N2CCc3ccccc32)s1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one?
The InChIKey is SJQZOPNRTGZAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-9(19-14-16-15-10(2)20-14)13(18)17-8-7-11-5-3-4-6-12(11)17/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one?
1-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one 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-(2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one is sourced from PubChem (CID 4878641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).