3-cyclopropyl-4-[2-(1,3-thiazol-4-yl)ethyl]-1H-1,2,4-triazole-5-thione

C10H12N4S2 — CID 63830099

IUPAC3-cyclopropyl-4-[2-(1,3-thiazol-4-yl)ethyl]-1H-1,2,4-triazole-5-thione
SMILESS=c1[nH]nc(C2CC2)n1CCc1cscn1
InChIInChI=1S/C10H12N4S2/c15-10-13-12-9(7-1-2-7)14(10)4-3-8-5-16-6-11-8/h5-7H,1-4H2,(H,13,15)
InChIKeyOZFXBGQAQOOZEK-UHFFFAOYSA-N
MW252.37 g/mol
LogP2.52
Rot. Bonds4

About 3-cyclopropyl-4-[2-(1,3-thiazol-4-yl)ethyl]-1H-1,2,4-triazole-5-thione

3-cyclopropyl-4-[2-(1,3-thiazol-4-yl)ethyl]-1H-1,2,4-triazole-5-thione (PubChem CID 63830099) has the molecular formula C10H12N4S2 and a molecular weight of 252.37 g/mol. Its IUPAC name is 3-cyclopropyl-4-[2-(1,3-thiazol-4-yl)ethyl]-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name3-cyclopropyl-4-[2-(1,3-thiazol-4-yl)ethyl]-1H-1,2,4-triazole-5-thione
PubChem CID63830099
Molecular FormulaC10H12N4S2
Molecular Weight252.37 g/mol
Exact Mass252.05
IUPAC Name3-cyclopropyl-4-[2-(1,3-thiazol-4-yl)ethyl]-1H-1,2,4-triazole-5-thione
SMILESS=c1[nH]nc(C2CC2)n1CCc1cscn1
InChIInChI=1S/C10H12N4S2/c15-10-13-12-9(7-1-2-7)14(10)4-3-8-5-16-6-11-8/h5-7H,1-4H2,(H,13,15)
InChIKeyOZFXBGQAQOOZEK-UHFFFAOYSA-N
XLogP2.52
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(1,3-thiazol-4-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 55260466
4-(2-aminoethyl)-3-cyclopropyl-1H-1,2,4-triazole-5-thione;hydrochloride
CID 54594434
3-cyclopropyl-4-(thiophen-3-ylmethyl)-1H-1,2,4-triazole-5-thione
CID 63245580
3-cyclopropyl-4-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole-5-thione
CID 63227090
4-(2-cyclohexylethyl)-3-cyclopropyl-1H-1,2,4-triazole-5-thione
CID 54932854
3-cyclopropyl-4-[2-(2-methoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione
CID 106259944
3-cyclopentyl-4-propyl-1H-1,2,4-triazole-5-thione
CID 115389911
4-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione
CID 64863188
7-fluoro-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione
CID 63823899
3-cyclopropyl-4-(5,5,5-trifluoropentyl)-1H-1,2,4-triazole-5-thione
CID 115520799
4-butyl-3-cyclobutyl-1H-1,2,4-triazole-5-thione
CID 165463710
4-[(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]-3H-1,3-thiazol-2-one
CID 106382434

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-[2-(1,3-thiazol-4-yl)ethyl]-1H-1,2,4-triazole-5-thione?
The IUPAC name of 3-cyclopropyl-4-[2-(1,3-thiazol-4-yl)ethyl]-1H-1,2,4-triazole-5-thione (CID 63830099) is 3-cyclopropyl-4-[2-(1,3-thiazol-4-yl)ethyl]-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 3-cyclopropyl-4-[2-(1,3-thiazol-4-yl)ethyl]-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 3-cyclopropyl-4-[2-(1,3-thiazol-4-yl)ethyl]-1H-1,2,4-triazole-5-thione is S=c1[nH]nc(C2CC2)n1CCc1cscn1.
What is the InChIKey of 3-cyclopropyl-4-[2-(1,3-thiazol-4-yl)ethyl]-1H-1,2,4-triazole-5-thione?
The InChIKey is OZFXBGQAQOOZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S2/c15-10-13-12-9(7-1-2-7)14(10)4-3-8-5-16-6-11-8/h5-7H,1-4H2,(H,13,15).
What are the key properties of 3-cyclopropyl-4-[2-(1,3-thiazol-4-yl)ethyl]-1H-1,2,4-triazole-5-thione?
3-cyclopropyl-4-[2-(1,3-thiazol-4-yl)ethyl]-1H-1,2,4-triazole-5-thione has a molecular weight of 252.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-[2-(1,3-thiazol-4-yl)ethyl]-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 63830099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).