3,4-bis(ethenyl)-5-ethyl-2H-1,2,5-thiadiazole;ethane

C10H18N2S — CID 145395564

IUPAC3,4-bis(ethenyl)-5-ethyl-2H-1,2,5-thiadiazole;ethane
SMILESC=CC1=C(C=C)N(CC)SN1.CC
InChIInChI=1S/C8H12N2S.C2H6/c1-4-7-8(5-2)10(6-3)11-9-7;1-2/h4-5,9H,1-2,6H2,3H3;1-2H3
InChIKeyHCWIJGNYPYNJCE-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.08
Rot. Bonds3

About 3,4-bis(ethenyl)-5-ethyl-2H-1,2,5-thiadiazole;ethane

3,4-bis(ethenyl)-5-ethyl-2H-1,2,5-thiadiazole;ethane (PubChem CID 145395564) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-5-ethyl-2H-1,2,5-thiadiazole;ethane.

Molecular Properties

Compound Name3,4-bis(ethenyl)-5-ethyl-2H-1,2,5-thiadiazole;ethane
PubChem CID145395564
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name3,4-bis(ethenyl)-5-ethyl-2H-1,2,5-thiadiazole;ethane
SMILESC=CC1=C(C=C)N(CC)SN1.CC
InChIInChI=1S/C8H12N2S.C2H6/c1-4-7-8(5-2)10(6-3)11-9-7;1-2/h4-5,9H,1-2,6H2,3H3;1-2H3
InChIKeyHCWIJGNYPYNJCE-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,5-bis(ethenyl)-2-ethyl-3-propyl-1,2-dihydroimidazole;ethane
CID 142020024
ethane;2-ethenyl-3,4-diethyl-1H-pyrrole
CID 177324812
5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine;ethane
CID 142222939
5,6-bis(ethenyl)-4-ethyl-2,3-dihydro-1,4-oxazine
CID 144557216
4-ethenyl-2-ethyl-5-methyl-1,5-dihydropyrazole
CID 166877228
2,3-bis(ethenyl)-4-ethyl-1H-pyrrole
CID 142984451
ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole
CID 178090956
4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol;ethane
CID 144527631
5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine
CID 142222940
4-ethenyl-3-ethyl-2,5-dihydro-1,2-thiazole
CID 138668061
5,6-bis(ethenyl)-4-[2-oxo-2-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]ethyl]-1,3-dihydropyrazin-2-one
CID 144720366
2-ethenyl-3-ethyl-1H-pyrrole
CID 144842515

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-5-ethyl-2H-1,2,5-thiadiazole;ethane?
The IUPAC name of 3,4-bis(ethenyl)-5-ethyl-2H-1,2,5-thiadiazole;ethane (CID 145395564) is 3,4-bis(ethenyl)-5-ethyl-2H-1,2,5-thiadiazole;ethane.
What is the SMILES notation for 3,4-bis(ethenyl)-5-ethyl-2H-1,2,5-thiadiazole;ethane?
The canonical SMILES for 3,4-bis(ethenyl)-5-ethyl-2H-1,2,5-thiadiazole;ethane is C=CC1=C(C=C)N(CC)SN1.CC.
What is the InChIKey of 3,4-bis(ethenyl)-5-ethyl-2H-1,2,5-thiadiazole;ethane?
The InChIKey is HCWIJGNYPYNJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S.C2H6/c1-4-7-8(5-2)10(6-3)11-9-7;1-2/h4-5,9H,1-2,6H2,3H3;1-2H3.
What are the key properties of 3,4-bis(ethenyl)-5-ethyl-2H-1,2,5-thiadiazole;ethane?
3,4-bis(ethenyl)-5-ethyl-2H-1,2,5-thiadiazole;ethane has a molecular weight of 198.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-5-ethyl-2H-1,2,5-thiadiazole;ethane is sourced from PubChem (CID 145395564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).