5-methylsulfanyl-3-propan-2-yl-1,2,4-thiadiazole

C6H10N2S2 — CID 131160002

IUPAC5-methylsulfanyl-3-propan-2-yl-1,2,4-thiadiazole
SMILESCSc1nc(C(C)C)ns1
InChIInChI=1S/C6H10N2S2/c1-4(2)5-7-6(9-3)10-8-5/h4H,1-3H3
InChIKeyNQLZAORICPFADD-UHFFFAOYSA-N
MW174.29 g/mol
LogP2.38
Rot. Bonds2

About 5-methylsulfanyl-3-propan-2-yl-1,2,4-thiadiazole

5-methylsulfanyl-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 131160002) has the molecular formula C6H10N2S2 and a molecular weight of 174.29 g/mol. Its IUPAC name is 5-methylsulfanyl-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methylsulfanyl-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID131160002
Molecular FormulaC6H10N2S2
Molecular Weight174.29 g/mol
Exact Mass174.03
IUPAC Name5-methylsulfanyl-3-propan-2-yl-1,2,4-thiadiazole
SMILESCSc1nc(C(C)C)ns1
InChIInChI=1S/C6H10N2S2/c1-4(2)5-7-6(9-3)10-8-5/h4H,1-3H3
InChIKeyNQLZAORICPFADD-UHFFFAOYSA-N
XLogP2.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-methylsulfanyl-3-propan-2-yl-1,2,4-thiadiazole (CID 131160002) is 5-methylsulfanyl-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-methylsulfanyl-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-methylsulfanyl-3-propan-2-yl-1,2,4-thiadiazole is CSc1nc(C(C)C)ns1.
What is the InChIKey of 5-methylsulfanyl-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is NQLZAORICPFADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2/c1-4(2)5-7-6(9-3)10-8-5/h4H,1-3H3.
What are the key properties of 5-methylsulfanyl-3-propan-2-yl-1,2,4-thiadiazole?
5-methylsulfanyl-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 174.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 131160002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).