4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-methylthiadiazole

C10H12N2S — CID 143618646

IUPAC4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-methylthiadiazole
SMILESC=C(/C=C\C=C/C)c1nnsc1C
InChIInChI=1S/C10H12N2S/c1-4-5-6-7-8(2)10-9(3)13-12-11-10/h4-7H,2H2,1,3H3/b5-4-,7-6-
InChIKeyJWTFBIJCGLIQNZ-RZSVFLSASA-N
MW192.29 g/mol
LogP2.99
Rot. Bonds3

About 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-methylthiadiazole

4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-methylthiadiazole (PubChem CID 143618646) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-methylthiadiazole.

Molecular Properties

Compound Name4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-methylthiadiazole
PubChem CID143618646
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-methylthiadiazole
SMILESC=C(/C=C\C=C/C)c1nnsc1C
InChIInChI=1S/C10H12N2S/c1-4-5-6-7-8(2)10-9(3)13-12-11-10/h4-7H,2H2,1,3H3/b5-4-,7-6-
InChIKeyJWTFBIJCGLIQNZ-RZSVFLSASA-N
XLogP2.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-methylthiadiazole?
The IUPAC name of 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-methylthiadiazole (CID 143618646) is 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-methylthiadiazole.
What is the SMILES notation for 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-methylthiadiazole?
The canonical SMILES for 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-methylthiadiazole is C=C(/C=C\C=C/C)c1nnsc1C.
What is the InChIKey of 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-methylthiadiazole?
The InChIKey is JWTFBIJCGLIQNZ-RZSVFLSASA-N. The full InChI is InChI=1S/C10H12N2S/c1-4-5-6-7-8(2)10-9(3)13-12-11-10/h4-7H,2H2,1,3H3/b5-4-,7-6-.
What are the key properties of 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-methylthiadiazole?
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-methylthiadiazole has a molecular weight of 192.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-methylthiadiazole is sourced from PubChem (CID 143618646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).