4-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]thiadiazole

C11H14N2S — CID 143328755

IUPAC4-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]thiadiazole
SMILESC=C(/C=C(C)\C(C)=C/C)c1csnn1
InChIInChI=1S/C11H14N2S/c1-5-8(2)9(3)6-10(4)11-7-14-13-12-11/h5-7H,4H2,1-3H3/b8-5-,9-6-
InChIKeyKVKICIRSNIPLCU-VVRUXRSYSA-N
MW206.31 g/mol
LogP3.46
Rot. Bonds3

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

4-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]thiadiazole (PubChem CID 143328755) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]thiadiazole.

Molecular Properties

Compound Name4-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]thiadiazole
PubChem CID143328755
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name4-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]thiadiazole
SMILESC=C(/C=C(C)\C(C)=C/C)c1csnn1
InChIInChI=1S/C11H14N2S/c1-5-8(2)9(3)6-10(4)11-7-14-13-12-11/h5-7H,4H2,1-3H3/b8-5-,9-6-
InChIKeyKVKICIRSNIPLCU-VVRUXRSYSA-N
XLogP3.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.46
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)-4,5-dimethylhepta-1,3,5-trien-2-yl]thiadiazole?
The IUPAC name of 4-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]thiadiazole (CID 143328755) is 4-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]thiadiazole.
What is the SMILES notation for 4-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]thiadiazole?
The canonical SMILES for 4-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]thiadiazole is C=C(/C=C(C)\C(C)=C/C)c1csnn1.
What is the InChIKey of 4-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]thiadiazole?
The InChIKey is KVKICIRSNIPLCU-VVRUXRSYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-5-8(2)9(3)6-10(4)11-7-14-13-12-11/h5-7H,4H2,1-3H3/b8-5-,9-6-.
What are the key properties of 4-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]thiadiazole?
4-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]thiadiazole has a molecular weight of 206.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]thiadiazole is sourced from PubChem (CID 143328755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).