ethane;4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]thiadiazole

C11H16N2S — CID 143217267

IUPACethane;4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]thiadiazole
SMILESC=C(C)/C=C\C(=C)c1csnn1.CC
InChIInChI=1S/C9H10N2S.C2H6/c1-7(2)4-5-8(3)9-6-12-11-10-9;1-2/h4-6H,1,3H2,2H3;1-2H3/b5-4-;
InChIKeyWVYPVJKJKNZYND-MKWAYWHRSA-N
MW208.33 g/mol
LogP3.71
Rot. Bonds3

About ethane;4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]thiadiazole

ethane;4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]thiadiazole (PubChem CID 143217267) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is ethane;4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]thiadiazole.

Molecular Properties

Compound Nameethane;4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]thiadiazole
PubChem CID143217267
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Nameethane;4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]thiadiazole
SMILESC=C(C)/C=C\C(=C)c1csnn1.CC
InChIInChI=1S/C9H10N2S.C2H6/c1-7(2)4-5-8(3)9-6-12-11-10-9;1-2/h4-6H,1,3H2,2H3;1-2H3/b5-4-;
InChIKeyWVYPVJKJKNZYND-MKWAYWHRSA-N
XLogP3.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Methylprop-1-enyl)thiadiazole
CID 13625204
4-[(1E)-4-methylpenta-1,3-dienyl]thiadiazole
CID 146168346
4-Prop-1-enylthiadiazole
CID 85443132
4-Hepta-1,3-dien-2-ylthiadiazole
CID 123693145
4-(4-Methylcyclohexa-1,3-dien-1-yl)thiadiazole
CID 142147616
ethane;4-(2-methyl-9,9a-dihydro-8H-cyclohepta[b]pyridin-6-yl)thiadiazole
CID 143119062
4-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]thiadiazole
CID 143328755
Ethane;4-(4-methylcyclohexa-1,5-dien-1-yl)thiadiazole
CID 143818194
4-(4-Propan-2-ylidenecyclohexa-1,5-dien-1-yl)thiadiazole
CID 162095951
4-But-1-enylthiadiazole
CID 173412708
4-But-2-enylthiadiazole
CID 173412709
4-Penta-1,4-dien-2-ylthiadiazole
CID 174968038

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]thiadiazole?
The IUPAC name of ethane;4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]thiadiazole (CID 143217267) is ethane;4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]thiadiazole.
What is the SMILES notation for ethane;4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]thiadiazole?
The canonical SMILES for ethane;4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]thiadiazole is C=C(C)/C=C\C(=C)c1csnn1.CC.
What is the InChIKey of ethane;4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]thiadiazole?
The InChIKey is WVYPVJKJKNZYND-MKWAYWHRSA-N. The full InChI is InChI=1S/C9H10N2S.C2H6/c1-7(2)4-5-8(3)9-6-12-11-10-9;1-2/h4-6H,1,3H2,2H3;1-2H3/b5-4-;.
What are the key properties of ethane;4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]thiadiazole?
ethane;4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]thiadiazole has a molecular weight of 208.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]thiadiazole is sourced from PubChem (CID 143217267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).