4-ethyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione

C11H10N4S3 — CID 10402209

IUPAC4-ethyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione
SMILESCCn1c(-c2csc(-c3cccs3)n2)n[nH]c1=S
InChIInChI=1S/C11H10N4S3/c1-2-15-9(13-14-11(15)16)7-6-18-10(12-7)8-4-3-5-17-8/h3-6H,2H2,1H3,(H,14,16)
InChIKeyPFZCZLOJAIHCRK-UHFFFAOYSA-N
MW294.43 g/mol
LogP3.81
Rot. Bonds3

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

4-ethyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione (PubChem CID 10402209) has the molecular formula C11H10N4S3 and a molecular weight of 294.43 g/mol. Its IUPAC name is 4-ethyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-ethyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione
PubChem CID10402209
Molecular FormulaC11H10N4S3
Molecular Weight294.43 g/mol
Exact Mass294.01
IUPAC Name4-ethyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione
SMILESCCn1c(-c2csc(-c3cccs3)n2)n[nH]c1=S
InChIInChI=1S/C11H10N4S3/c1-2-15-9(13-14-11(15)16)7-6-18-10(12-7)8-4-3-5-17-8/h3-6H,2H2,1H3,(H,14,16)
InChIKeyPFZCZLOJAIHCRK-UHFFFAOYSA-N
XLogP3.81
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-ethyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-ethyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione (CID 10402209) is 4-ethyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-ethyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-ethyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione is CCn1c(-c2csc(-c3cccs3)n2)n[nH]c1=S.
What is the InChIKey of 4-ethyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione?
The InChIKey is PFZCZLOJAIHCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S3/c1-2-15-9(13-14-11(15)16)7-6-18-10(12-7)8-4-3-5-17-8/h3-6H,2H2,1H3,(H,14,16).
What are the key properties of 4-ethyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione?
4-ethyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione has a molecular weight of 294.43 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 10402209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).