2-[(Z)-but-2-enyl]-5-methyl-1,3,4-thiadiazole

C7H10N2S — CID 145452066

IUPAC2-[(Z)-but-2-enyl]-5-methyl-1,3,4-thiadiazole
SMILESC/C=C\Cc1nnc(C)s1
InChIInChI=1S/C7H10N2S/c1-3-4-5-7-9-8-6(2)10-7/h3-4H,5H2,1-2H3/b4-3-
InChIKeyMIHMYBAQHDXFHV-ARJAWSKDSA-N
MW154.24 g/mol
LogP1.97
Rot. Bonds2

About 2-[(Z)-but-2-enyl]-5-methyl-1,3,4-thiadiazole

2-[(Z)-but-2-enyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 145452066) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 2-[(Z)-but-2-enyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(Z)-but-2-enyl]-5-methyl-1,3,4-thiadiazole
PubChem CID145452066
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name2-[(Z)-but-2-enyl]-5-methyl-1,3,4-thiadiazole
SMILESC/C=C\Cc1nnc(C)s1
InChIInChI=1S/C7H10N2S/c1-3-4-5-7-9-8-6(2)10-7/h3-4H,5H2,1-2H3/b4-3-
InChIKeyMIHMYBAQHDXFHV-ARJAWSKDSA-N
XLogP1.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-enyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(Z)-but-2-enyl]-5-methyl-1,3,4-thiadiazole (CID 145452066) is 2-[(Z)-but-2-enyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(Z)-but-2-enyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(Z)-but-2-enyl]-5-methyl-1,3,4-thiadiazole is C/C=C\Cc1nnc(C)s1.
What is the InChIKey of 2-[(Z)-but-2-enyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is MIHMYBAQHDXFHV-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H10N2S/c1-3-4-5-7-9-8-6(2)10-7/h3-4H,5H2,1-2H3/b4-3-.
What are the key properties of 2-[(Z)-but-2-enyl]-5-methyl-1,3,4-thiadiazole?
2-[(Z)-but-2-enyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 154.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-enyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 145452066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).