2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole

C20H20N4S2 — CID 58037272

IUPAC2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole
SMILESCCCc1nnc(-c2ccc3cc(-c4nnc(CCC)s4)ccc3c2)s1
InChIInChI=1S/C20H20N4S2/c1-3-5-17-21-23-19(25-17)15-9-7-14-12-16(10-8-13(14)11-15)20-24-22-18(26-20)6-4-2/h7-12H,3-6H2,1-2H3
InChIKeyAVNLPVLYZHYSBZ-UHFFFAOYSA-N
MW380.54 g/mol
LogP5.78
Rot. Bonds6

About 2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole

2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole (PubChem CID 58037272) has the molecular formula C20H20N4S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole
PubChem CID58037272
Molecular FormulaC20H20N4S2
Molecular Weight380.54 g/mol
Exact Mass380.11
IUPAC Name2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole
SMILESCCCc1nnc(-c2ccc3cc(-c4nnc(CCC)s4)ccc3c2)s1
InChIInChI=1S/C20H20N4S2/c1-3-5-17-21-23-19(25-17)15-9-7-14-12-16(10-8-13(14)11-15)20-24-22-18(26-20)6-4-2/h7-12H,3-6H2,1-2H3
InChIKeyAVNLPVLYZHYSBZ-UHFFFAOYSA-N
XLogP5.78
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole (CID 58037272) is 2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole is CCCc1nnc(-c2ccc3cc(-c4nnc(CCC)s4)ccc3c2)s1.
What is the InChIKey of 2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole?
The InChIKey is AVNLPVLYZHYSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4S2/c1-3-5-17-21-23-19(25-17)15-9-7-14-12-16(10-8-13(14)11-15)20-24-22-18(26-20)6-4-2/h7-12H,3-6H2,1-2H3.
What are the key properties of 2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole?
2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole has a molecular weight of 380.54 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 58037272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).