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

C10H11FN2S — CID 143231018

IUPAC3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1,2,4-thiadiazole
SMILESC=C/C(=C(F)\C=C/C)c1nsc(C)n1
InChIInChI=1S/C10H11FN2S/c1-4-6-9(11)8(5-2)10-12-7(3)14-13-10/h4-6H,2H2,1,3H3/b6-4-,9-8-
InChIKeyOUNCQBCXIXUYHJ-KDAARUEYSA-N
MW210.28 g/mol
LogP3.29
Rot. Bonds3

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

3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1,2,4-thiadiazole (PubChem CID 143231018) has the molecular formula C10H11FN2S and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1,2,4-thiadiazole
PubChem CID143231018
Molecular FormulaC10H11FN2S
Molecular Weight210.28 g/mol
Exact Mass210.06
IUPAC Name3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1,2,4-thiadiazole
SMILESC=C/C(=C(F)\C=C/C)c1nsc(C)n1
InChIInChI=1S/C10H11FN2S/c1-4-6-9(11)8(5-2)10-12-7(3)14-13-10/h4-6H,2H2,1,3H3/b6-4-,9-8-
InChIKeyOUNCQBCXIXUYHJ-KDAARUEYSA-N
XLogP3.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.29
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 3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1,2,4-thiadiazole?
The IUPAC name of 3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1,2,4-thiadiazole (CID 143231018) is 3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1,2,4-thiadiazole?
The canonical SMILES for 3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1,2,4-thiadiazole is C=C/C(=C(F)\C=C/C)c1nsc(C)n1.
What is the InChIKey of 3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1,2,4-thiadiazole?
The InChIKey is OUNCQBCXIXUYHJ-KDAARUEYSA-N. The full InChI is InChI=1S/C10H11FN2S/c1-4-6-9(11)8(5-2)10-12-7(3)14-13-10/h4-6H,2H2,1,3H3/b6-4-,9-8-.
What are the key properties of 3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1,2,4-thiadiazole?
3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1,2,4-thiadiazole has a molecular weight of 210.28 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 143231018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).