2-cyclopropyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylsulfanyl)-1,3,4-thiadiazole

C15H16N2S2 — CID 75457314

IUPAC2-cyclopropyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylsulfanyl)-1,3,4-thiadiazole
SMILESc1ccc2c(c1)CCC(Sc1nnc(C3CC3)s1)C2
InChIInChI=1S/C15H16N2S2/c1-2-4-12-9-13(8-7-10(12)3-1)18-15-17-16-14(19-15)11-5-6-11/h1-4,11,13H,5-9H2
InChIKeyHGQMBAGFUWHHKM-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.07
Rot. Bonds3

About 2-cyclopropyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylsulfanyl)-1,3,4-thiadiazole

2-cyclopropyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylsulfanyl)-1,3,4-thiadiazole (PubChem CID 75457314) has the molecular formula C15H16N2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-cyclopropyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylsulfanyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylsulfanyl)-1,3,4-thiadiazole
PubChem CID75457314
Molecular FormulaC15H16N2S2
Molecular Weight288.44 g/mol
Exact Mass288.08
IUPAC Name2-cyclopropyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylsulfanyl)-1,3,4-thiadiazole
SMILESc1ccc2c(c1)CCC(Sc1nnc(C3CC3)s1)C2
InChIInChI=1S/C15H16N2S2/c1-2-4-12-9-13(8-7-10(12)3-1)18-15-17-16-14(19-15)11-5-6-11/h1-4,11,13H,5-9H2
InChIKeyHGQMBAGFUWHHKM-UHFFFAOYSA-N
XLogP4.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylsulfanyl)-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylsulfanyl)-1,3,4-thiadiazole (CID 75457314) is 2-cyclopropyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylsulfanyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylsulfanyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylsulfanyl)-1,3,4-thiadiazole is c1ccc2c(c1)CCC(Sc1nnc(C3CC3)s1)C2.
What is the InChIKey of 2-cyclopropyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylsulfanyl)-1,3,4-thiadiazole?
The InChIKey is HGQMBAGFUWHHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S2/c1-2-4-12-9-13(8-7-10(12)3-1)18-15-17-16-14(19-15)11-5-6-11/h1-4,11,13H,5-9H2.
What are the key properties of 2-cyclopropyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylsulfanyl)-1,3,4-thiadiazole?
2-cyclopropyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylsulfanyl)-1,3,4-thiadiazole has a molecular weight of 288.44 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylsulfanyl)-1,3,4-thiadiazole is sourced from PubChem (CID 75457314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).