2-thiophen-2-ylsulfanyl-1,3-thiazole

C7H5NS3 — CID 91454121

IUPAC2-thiophen-2-ylsulfanyl-1,3-thiazole
SMILESc1csc(Sc2nccs2)c1
InChIInChI=1S/C7H5NS3/c1-2-6(9-4-1)11-7-8-3-5-10-7/h1-5H
InChIKeyJOCOPPLIJSQNRF-UHFFFAOYSA-N
MW199.33 g/mol
LogP3.36
Rot. Bonds2

About 2-thiophen-2-ylsulfanyl-1,3-thiazole

2-thiophen-2-ylsulfanyl-1,3-thiazole (PubChem CID 91454121) has the molecular formula C7H5NS3 and a molecular weight of 199.33 g/mol. Its IUPAC name is 2-thiophen-2-ylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-thiophen-2-ylsulfanyl-1,3-thiazole
PubChem CID91454121
Molecular FormulaC7H5NS3
Molecular Weight199.33 g/mol
Exact Mass198.96
IUPAC Name2-thiophen-2-ylsulfanyl-1,3-thiazole
SMILESc1csc(Sc2nccs2)c1
InChIInChI=1S/C7H5NS3/c1-2-6(9-4-1)11-7-8-3-5-10-7/h1-5H
InChIKeyJOCOPPLIJSQNRF-UHFFFAOYSA-N
XLogP3.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylsulfanyl-1,3-thiazole?
The IUPAC name of 2-thiophen-2-ylsulfanyl-1,3-thiazole (CID 91454121) is 2-thiophen-2-ylsulfanyl-1,3-thiazole.
What is the SMILES notation for 2-thiophen-2-ylsulfanyl-1,3-thiazole?
The canonical SMILES for 2-thiophen-2-ylsulfanyl-1,3-thiazole is c1csc(Sc2nccs2)c1.
What is the InChIKey of 2-thiophen-2-ylsulfanyl-1,3-thiazole?
The InChIKey is JOCOPPLIJSQNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS3/c1-2-6(9-4-1)11-7-8-3-5-10-7/h1-5H.
What are the key properties of 2-thiophen-2-ylsulfanyl-1,3-thiazole?
2-thiophen-2-ylsulfanyl-1,3-thiazole has a molecular weight of 199.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylsulfanyl-1,3-thiazole is sourced from PubChem (CID 91454121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).