3-cyclopropyl-5-ethylsulfanyl-1,2,4-thiadiazole

C7H10N2S2 — CID 169015884

IUPAC3-cyclopropyl-5-ethylsulfanyl-1,2,4-thiadiazole
SMILESCCSc1nc(C2CC2)ns1
InChIInChI=1S/C7H10N2S2/c1-2-10-7-8-6(9-11-7)5-3-4-5/h5H,2-4H2,1H3
InChIKeyCAWHUNCQBBWADD-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.53
Rot. Bonds3

About 3-cyclopropyl-5-ethylsulfanyl-1,2,4-thiadiazole

3-cyclopropyl-5-ethylsulfanyl-1,2,4-thiadiazole (PubChem CID 169015884) has the molecular formula C7H10N2S2 and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-cyclopropyl-5-ethylsulfanyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-ethylsulfanyl-1,2,4-thiadiazole
PubChem CID169015884
Molecular FormulaC7H10N2S2
Molecular Weight186.30 g/mol
Exact Mass186.03
IUPAC Name3-cyclopropyl-5-ethylsulfanyl-1,2,4-thiadiazole
SMILESCCSc1nc(C2CC2)ns1
InChIInChI=1S/C7H10N2S2/c1-2-10-7-8-6(9-11-7)5-3-4-5/h5H,2-4H2,1H3
InChIKeyCAWHUNCQBBWADD-UHFFFAOYSA-N
XLogP2.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-ethylsulfanyl-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-ethylsulfanyl-1,2,4-thiadiazole (CID 169015884) is 3-cyclopropyl-5-ethylsulfanyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-ethylsulfanyl-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-ethylsulfanyl-1,2,4-thiadiazole is CCSc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-5-ethylsulfanyl-1,2,4-thiadiazole?
The InChIKey is CAWHUNCQBBWADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S2/c1-2-10-7-8-6(9-11-7)5-3-4-5/h5H,2-4H2,1H3.
What are the key properties of 3-cyclopropyl-5-ethylsulfanyl-1,2,4-thiadiazole?
3-cyclopropyl-5-ethylsulfanyl-1,2,4-thiadiazole has a molecular weight of 186.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-ethylsulfanyl-1,2,4-thiadiazole is sourced from PubChem (CID 169015884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).