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

C9H16N2S — CID 142287529

IUPACethane;5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole
SMILESC=Cc1nc(C(C)C)ns1.CC
InChIInChI=1S/C7H10N2S.C2H6/c1-4-6-8-7(5(2)3)9-10-6;1-2/h4-5H,1H2,2-3H3;1-2H3
InChIKeyYMCCEXYKWFRYBR-UHFFFAOYSA-N
MW184.31 g/mol
LogP3.33
Rot. Bonds2

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

ethane;5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 142287529) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is ethane;5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Nameethane;5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID142287529
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Nameethane;5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole
SMILESC=Cc1nc(C(C)C)ns1.CC
InChIInChI=1S/C7H10N2S.C2H6/c1-4-6-8-7(5(2)3)9-10-6;1-2/h4-5H,1H2,2-3H3;1-2H3
InChIKeyYMCCEXYKWFRYBR-UHFFFAOYSA-N
XLogP3.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of ethane;5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole (CID 142287529) is ethane;5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for ethane;5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for ethane;5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole is C=Cc1nc(C(C)C)ns1.CC.
What is the InChIKey of ethane;5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is YMCCEXYKWFRYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S.C2H6/c1-4-6-8-7(5(2)3)9-10-6;1-2/h4-5H,1H2,2-3H3;1-2H3.
What are the key properties of ethane;5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole?
ethane;5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 184.31 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 142287529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).