2-[(6-methoxy-2-pyridinyl)sulfanyl]-1,3-thiazole

C9H8N2OS2 — CID 23202278

IUPAC2-[(6-methoxy-2-pyridinyl)sulfanyl]-1,3-thiazole
SMILESCOc1cccc(Sc2nccs2)n1
InChIInChI=1S/C9H8N2OS2/c1-12-7-3-2-4-8(11-7)14-9-10-5-6-13-9/h2-6H,1H3
InChIKeyPXUNAIDRXQGFII-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.70
Rot. Bonds3

About 2-[(6-methoxy-2-pyridinyl)sulfanyl]-1,3-thiazole

2-[(6-methoxy-2-pyridinyl)sulfanyl]-1,3-thiazole (PubChem CID 23202278) has the molecular formula C9H8N2OS2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[(6-methoxy-2-pyridinyl)sulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(6-methoxy-2-pyridinyl)sulfanyl]-1,3-thiazole
PubChem CID23202278
Molecular FormulaC9H8N2OS2
Molecular Weight224.31 g/mol
Exact Mass224.01
IUPAC Name2-[(6-methoxy-2-pyridinyl)sulfanyl]-1,3-thiazole
SMILESCOc1cccc(Sc2nccs2)n1
InChIInChI=1S/C9H8N2OS2/c1-12-7-3-2-4-8(11-7)14-9-10-5-6-13-9/h2-6H,1H3
InChIKeyPXUNAIDRXQGFII-UHFFFAOYSA-N
XLogP2.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(6-methoxy-2-pyridinyl)sulfanyl]-1,3-thiazole?
The IUPAC name of 2-[(6-methoxy-2-pyridinyl)sulfanyl]-1,3-thiazole (CID 23202278) is 2-[(6-methoxy-2-pyridinyl)sulfanyl]-1,3-thiazole.
What is the SMILES notation for 2-[(6-methoxy-2-pyridinyl)sulfanyl]-1,3-thiazole?
The canonical SMILES for 2-[(6-methoxy-2-pyridinyl)sulfanyl]-1,3-thiazole is COc1cccc(Sc2nccs2)n1.
What is the InChIKey of 2-[(6-methoxy-2-pyridinyl)sulfanyl]-1,3-thiazole?
The InChIKey is PXUNAIDRXQGFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS2/c1-12-7-3-2-4-8(11-7)14-9-10-5-6-13-9/h2-6H,1H3.
What are the key properties of 2-[(6-methoxy-2-pyridinyl)sulfanyl]-1,3-thiazole?
2-[(6-methoxy-2-pyridinyl)sulfanyl]-1,3-thiazole has a molecular weight of 224.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2-pyridinyl)sulfanyl]-1,3-thiazole is sourced from PubChem (CID 23202278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).