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

C7H10N2S — CID 134272203

IUPAC5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole
SMILESC=Cc1nc(C(C)C)ns1
InChIInChI=1S/C7H10N2S/c1-4-6-8-7(5(2)3)9-10-6/h4-5H,1H2,2-3H3
InChIKeyRIDWCMITEAXTLU-UHFFFAOYSA-N
MW154.24 g/mol
LogP2.30
Rot. Bonds2

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

5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 134272203) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID134272203
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole
SMILESC=Cc1nc(C(C)C)ns1
InChIInChI=1S/C7H10N2S/c1-4-6-8-7(5(2)3)9-10-6/h4-5H,1H2,2-3H3
InChIKeyRIDWCMITEAXTLU-UHFFFAOYSA-N
XLogP2.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole (CID 134272203) is 5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole is C=Cc1nc(C(C)C)ns1.
What is the InChIKey of 5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is RIDWCMITEAXTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-4-6-8-7(5(2)3)9-10-6/h4-5H,1H2,2-3H3.
What are the key properties of 5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole?
5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 154.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 134272203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).