2-methylimidazo[1,2-d][1,2,4]thiadiazole-3-thione

C5H5N3S2 — CID 14195304

IUPAC2-methylimidazo[1,2-d][1,2,4]thiadiazole-3-thione
SMILESCn1sc2nccn2c1=S
InChIInChI=1S/C5H5N3S2/c1-7-5(9)8-3-2-6-4(8)10-7/h2-3H,1H3
InChIKeyVWRSYUWDGBSIHO-UHFFFAOYSA-N
MW171.25 g/mol
LogP1.46
Rot. Bonds

About 2-methylimidazo[1,2-d][1,2,4]thiadiazole-3-thione

2-methylimidazo[1,2-d][1,2,4]thiadiazole-3-thione (PubChem CID 14195304) has the molecular formula C5H5N3S2 and a molecular weight of 171.25 g/mol. Its IUPAC name is 2-methylimidazo[1,2-d][1,2,4]thiadiazole-3-thione.

Molecular Properties

Compound Name2-methylimidazo[1,2-d][1,2,4]thiadiazole-3-thione
PubChem CID14195304
Molecular FormulaC5H5N3S2
Molecular Weight171.25 g/mol
Exact Mass170.99
IUPAC Name2-methylimidazo[1,2-d][1,2,4]thiadiazole-3-thione
SMILESCn1sc2nccn2c1=S
InChIInChI=1S/C5H5N3S2/c1-7-5(9)8-3-2-6-4(8)10-7/h2-3H,1H3
InChIKeyVWRSYUWDGBSIHO-UHFFFAOYSA-N
XLogP1.46
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_5A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylimidazo[1,2-d][1,2,4]thiadiazole-3-thione?
The IUPAC name of 2-methylimidazo[1,2-d][1,2,4]thiadiazole-3-thione (CID 14195304) is 2-methylimidazo[1,2-d][1,2,4]thiadiazole-3-thione.
What is the SMILES notation for 2-methylimidazo[1,2-d][1,2,4]thiadiazole-3-thione?
The canonical SMILES for 2-methylimidazo[1,2-d][1,2,4]thiadiazole-3-thione is Cn1sc2nccn2c1=S.
What is the InChIKey of 2-methylimidazo[1,2-d][1,2,4]thiadiazole-3-thione?
The InChIKey is VWRSYUWDGBSIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3S2/c1-7-5(9)8-3-2-6-4(8)10-7/h2-3H,1H3.
What are the key properties of 2-methylimidazo[1,2-d][1,2,4]thiadiazole-3-thione?
2-methylimidazo[1,2-d][1,2,4]thiadiazole-3-thione has a molecular weight of 171.25 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimidazo[1,2-d][1,2,4]thiadiazole-3-thione is sourced from PubChem (CID 14195304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).