2-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole

C10H12N4S3 — CID 128848795

IUPAC2-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(Sc2nc(C3CCCC3)ns2)s1
InChIInChI=1S/C10H12N4S3/c1-6-12-13-10(15-6)16-9-11-8(14-17-9)7-4-2-3-5-7/h7H,2-5H2,1H3
InChIKeyXFOSWZXYOJVAGX-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.51
Rot. Bonds3

About 2-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole

2-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 128848795) has the molecular formula C10H12N4S3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
PubChem CID128848795
Molecular FormulaC10H12N4S3
Molecular Weight284.44 g/mol
Exact Mass284.02
IUPAC Name2-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(Sc2nc(C3CCCC3)ns2)s1
InChIInChI=1S/C10H12N4S3/c1-6-12-13-10(15-6)16-9-11-8(14-17-9)7-4-2-3-5-7/h7H,2-5H2,1H3
InChIKeyXFOSWZXYOJVAGX-UHFFFAOYSA-N
XLogP3.51
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole (CID 128848795) is 2-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(Sc2nc(C3CCCC3)ns2)s1.
What is the InChIKey of 2-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is XFOSWZXYOJVAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S3/c1-6-12-13-10(15-6)16-9-11-8(14-17-9)7-4-2-3-5-7/h7H,2-5H2,1H3.
What are the key properties of 2-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
2-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 284.44 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 128848795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).