5-ethyl-5'-naphthalen-1-ylspiro[1,2-dihydroindole-3,2'-3H-1,3,4-thiadiazole]

C21H19N3S — CID 90046195

IUPAC5-ethyl-5'-naphthalen-1-ylspiro[1,2-dihydroindole-3,2'-3H-1,3,4-thiadiazole]
SMILESCCc1ccc2c(c1)C1(CN2)NN=C(c2cccc3ccccc23)S1
InChIInChI=1S/C21H19N3S/c1-2-14-10-11-19-18(12-14)21(13-22-19)24-23-20(25-21)17-9-5-7-15-6-3-4-8-16(15)17/h3-12,22,24H,2,13H2,1H3
InChIKeyHBCDJIJXFKVEFU-UHFFFAOYSA-N
MW345.47 g/mol
LogP4.68
Rot. Bonds2

About 5-ethyl-5'-naphthalen-1-ylspiro[1,2-dihydroindole-3,2'-3H-1,3,4-thiadiazole]

5-ethyl-5'-naphthalen-1-ylspiro[1,2-dihydroindole-3,2'-3H-1,3,4-thiadiazole] (PubChem CID 90046195) has the molecular formula C21H19N3S and a molecular weight of 345.47 g/mol. Its IUPAC name is 5-ethyl-5'-naphthalen-1-ylspiro[1,2-dihydroindole-3,2'-3H-1,3,4-thiadiazole].

Molecular Properties

Compound Name5-ethyl-5'-naphthalen-1-ylspiro[1,2-dihydroindole-3,2'-3H-1,3,4-thiadiazole]
PubChem CID90046195
Molecular FormulaC21H19N3S
Molecular Weight345.47 g/mol
Exact Mass345.13
IUPAC Name5-ethyl-5'-naphthalen-1-ylspiro[1,2-dihydroindole-3,2'-3H-1,3,4-thiadiazole]
SMILESCCc1ccc2c(c1)C1(CN2)NN=C(c2cccc3ccccc23)S1
InChIInChI=1S/C21H19N3S/c1-2-14-10-11-19-18(12-14)21(13-22-19)24-23-20(25-21)17-9-5-7-15-6-3-4-8-16(15)17/h3-12,22,24H,2,13H2,1H3
InChIKeyHBCDJIJXFKVEFU-UHFFFAOYSA-N
XLogP4.68
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5'-naphthalen-1-ylspiro[1,2-dihydroindole-3,2'-3H-1,3,4-thiadiazole]?
The IUPAC name of 5-ethyl-5'-naphthalen-1-ylspiro[1,2-dihydroindole-3,2'-3H-1,3,4-thiadiazole] (CID 90046195) is 5-ethyl-5'-naphthalen-1-ylspiro[1,2-dihydroindole-3,2'-3H-1,3,4-thiadiazole].
What is the SMILES notation for 5-ethyl-5'-naphthalen-1-ylspiro[1,2-dihydroindole-3,2'-3H-1,3,4-thiadiazole]?
The canonical SMILES for 5-ethyl-5'-naphthalen-1-ylspiro[1,2-dihydroindole-3,2'-3H-1,3,4-thiadiazole] is CCc1ccc2c(c1)C1(CN2)NN=C(c2cccc3ccccc23)S1.
What is the InChIKey of 5-ethyl-5'-naphthalen-1-ylspiro[1,2-dihydroindole-3,2'-3H-1,3,4-thiadiazole]?
The InChIKey is HBCDJIJXFKVEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3S/c1-2-14-10-11-19-18(12-14)21(13-22-19)24-23-20(25-21)17-9-5-7-15-6-3-4-8-16(15)17/h3-12,22,24H,2,13H2,1H3.
What are the key properties of 5-ethyl-5'-naphthalen-1-ylspiro[1,2-dihydroindole-3,2'-3H-1,3,4-thiadiazole]?
5-ethyl-5'-naphthalen-1-ylspiro[1,2-dihydroindole-3,2'-3H-1,3,4-thiadiazole] has a molecular weight of 345.47 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5'-naphthalen-1-ylspiro[1,2-dihydroindole-3,2'-3H-1,3,4-thiadiazole] is sourced from PubChem (CID 90046195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).