5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione

C8H8N4S2 — CID 82435792

IUPAC5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
SMILESS=c1nc(-c2scnc2C2CC2)[nH][nH]1
InChIInChI=1S/C8H8N4S2/c13-8-10-7(11-12-8)6-5(4-1-2-4)9-3-14-6/h3-4H,1-2H2,(H2,10,11,12,13)
InChIKeyBMINSUANKRLOAJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.47
Rot. Bonds2

About 5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione

5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione (PubChem CID 82435792) has the molecular formula C8H8N4S2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione.

Molecular Properties

Compound Name5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
PubChem CID82435792
Molecular FormulaC8H8N4S2
Molecular Weight224.31 g/mol
Exact Mass224.02
IUPAC Name5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
SMILESS=c1nc(-c2scnc2C2CC2)[nH][nH]1
InChIInChI=1S/C8H8N4S2/c13-8-10-7(11-12-8)6-5(4-1-2-4)9-3-14-6/h3-4H,1-2H2,(H2,10,11,12,13)
InChIKeyBMINSUANKRLOAJ-UHFFFAOYSA-N
XLogP2.47
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione?
The IUPAC name of 5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione (CID 82435792) is 5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione.
What is the SMILES notation for 5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione?
The canonical SMILES for 5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione is S=c1nc(-c2scnc2C2CC2)[nH][nH]1.
What is the InChIKey of 5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione?
The InChIKey is BMINSUANKRLOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S2/c13-8-10-7(11-12-8)6-5(4-1-2-4)9-3-14-6/h3-4H,1-2H2,(H2,10,11,12,13).
What are the key properties of 5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione?
5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione has a molecular weight of 224.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione is sourced from PubChem (CID 82435792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).