4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]thiadiazole

C10H9N3S — CID 5386971

IUPAC4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]thiadiazole
SMILESCc1cccc(/C=C/c2csnn2)n1
InChIInChI=1S/C10H9N3S/c1-8-3-2-4-9(11-8)5-6-10-7-14-13-12-10/h2-7H,1H3/b6-5+
InChIKeyJFUFGBAYDYFUSN-AATRIKPKSA-N
MW203.27 g/mol
LogP2.41
Rot. Bonds2

About 4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]thiadiazole

4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]thiadiazole (PubChem CID 5386971) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]thiadiazole.

Molecular Properties

Compound Name4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]thiadiazole
PubChem CID5386971
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]thiadiazole
SMILESCc1cccc(/C=C/c2csnn2)n1
InChIInChI=1S/C10H9N3S/c1-8-3-2-4-9(11-8)5-6-10-7-14-13-12-10/h2-7H,1H3/b6-5+
InChIKeyJFUFGBAYDYFUSN-AATRIKPKSA-N
XLogP2.41
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]thiadiazole?
The IUPAC name of 4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]thiadiazole (CID 5386971) is 4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]thiadiazole.
What is the SMILES notation for 4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]thiadiazole?
The canonical SMILES for 4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]thiadiazole is Cc1cccc(/C=C/c2csnn2)n1.
What is the InChIKey of 4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]thiadiazole?
The InChIKey is JFUFGBAYDYFUSN-AATRIKPKSA-N. The full InChI is InChI=1S/C10H9N3S/c1-8-3-2-4-9(11-8)5-6-10-7-14-13-12-10/h2-7H,1H3/b6-5+.
What are the key properties of 4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]thiadiazole?
4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]thiadiazole has a molecular weight of 203.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]thiadiazole is sourced from PubChem (CID 5386971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).