3-ethyl-N-(1-methyl-2,3-dihydroindol-6-yl)-1,2,4-thiadiazol-5-amine

C13H16N4S — CID 133435563

IUPAC3-ethyl-N-(1-methyl-2,3-dihydroindol-6-yl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(Nc2ccc3c(c2)N(C)CC3)n1
InChIInChI=1S/C13H16N4S/c1-3-12-15-13(18-16-12)14-10-5-4-9-6-7-17(2)11(9)8-10/h4-5,8H,3,6-7H2,1-2H3,(H,14,15,16)
InChIKeySELOYRGCLKAUMD-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.84
Rot. Bonds3

About 3-ethyl-N-(1-methyl-2,3-dihydroindol-6-yl)-1,2,4-thiadiazol-5-amine

3-ethyl-N-(1-methyl-2,3-dihydroindol-6-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 133435563) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 3-ethyl-N-(1-methyl-2,3-dihydroindol-6-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(1-methyl-2,3-dihydroindol-6-yl)-1,2,4-thiadiazol-5-amine
PubChem CID133435563
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name3-ethyl-N-(1-methyl-2,3-dihydroindol-6-yl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(Nc2ccc3c(c2)N(C)CC3)n1
InChIInChI=1S/C13H16N4S/c1-3-12-15-13(18-16-12)14-10-5-4-9-6-7-17(2)11(9)8-10/h4-5,8H,3,6-7H2,1-2H3,(H,14,15,16)
InChIKeySELOYRGCLKAUMD-UHFFFAOYSA-N
XLogP2.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-methyl-2,3-dihydroindol-6-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-(1-methyl-2,3-dihydroindol-6-yl)-1,2,4-thiadiazol-5-amine (CID 133435563) is 3-ethyl-N-(1-methyl-2,3-dihydroindol-6-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(1-methyl-2,3-dihydroindol-6-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-(1-methyl-2,3-dihydroindol-6-yl)-1,2,4-thiadiazol-5-amine is CCc1nsc(Nc2ccc3c(c2)N(C)CC3)n1.
What is the InChIKey of 3-ethyl-N-(1-methyl-2,3-dihydroindol-6-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is SELOYRGCLKAUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-3-12-15-13(18-16-12)14-10-5-4-9-6-7-17(2)11(9)8-10/h4-5,8H,3,6-7H2,1-2H3,(H,14,15,16).
What are the key properties of 3-ethyl-N-(1-methyl-2,3-dihydroindol-6-yl)-1,2,4-thiadiazol-5-amine?
3-ethyl-N-(1-methyl-2,3-dihydroindol-6-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 260.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-methyl-2,3-dihydroindol-6-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133435563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).