2-methylsulfanyl-1,3-thiazole

C4H5NS2 — CID 2760100

IUPAC2-methylsulfanyl-1,3-thiazole
SMILESCSc1nccs1
InChIInChI=1S/C4H5NS2/c1-6-4-5-2-3-7-4/h2-3H,1H3
InChIKeyVQNOAXZUEKPSJC-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.87
Rot. Bonds1

About 2-methylsulfanyl-1,3-thiazole

2-methylsulfanyl-1,3-thiazole (PubChem CID 2760100) has the molecular formula C4H5NS2 and a molecular weight of 131.22 g/mol. Its IUPAC name is 2-methylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-methylsulfanyl-1,3-thiazole
PubChem CID2760100
Molecular FormulaC4H5NS2
Molecular Weight131.22 g/mol
Exact Mass130.99
IUPAC Name2-methylsulfanyl-1,3-thiazole
SMILESCSc1nccs1
InChIInChI=1S/C4H5NS2/c1-6-4-5-2-3-7-4/h2-3H,1H3
InChIKeyVQNOAXZUEKPSJC-UHFFFAOYSA-N
XLogP1.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methylsulfanyl-1,3-thiazole?
The IUPAC name of 2-methylsulfanyl-1,3-thiazole (CID 2760100) is 2-methylsulfanyl-1,3-thiazole.
What is the SMILES notation for 2-methylsulfanyl-1,3-thiazole?
The canonical SMILES for 2-methylsulfanyl-1,3-thiazole is CSc1nccs1.
What is the InChIKey of 2-methylsulfanyl-1,3-thiazole?
The InChIKey is VQNOAXZUEKPSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NS2/c1-6-4-5-2-3-7-4/h2-3H,1H3.
What are the key properties of 2-methylsulfanyl-1,3-thiazole?
2-methylsulfanyl-1,3-thiazole has a molecular weight of 131.22 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1,3-thiazole is sourced from PubChem (CID 2760100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).