2-[2-(difluoromethoxy)ethynyl]-4-methoxy-1,3-thiazole

C7H5F2NO2S — CID 174331134

IUPAC2-[2-(difluoromethoxy)ethynyl]-4-methoxy-1,3-thiazole
SMILESCOc1csc(C#COC(F)F)n1
InChIInChI=1S/C7H5F2NO2S/c1-11-5-4-13-6(10-5)2-3-12-7(8)9/h4,7H,1H3
InChIKeyFLNSQPYVUXSDGN-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.70
Rot. Bonds2

About 2-[2-(difluoromethoxy)ethynyl]-4-methoxy-1,3-thiazole

2-[2-(difluoromethoxy)ethynyl]-4-methoxy-1,3-thiazole (PubChem CID 174331134) has the molecular formula C7H5F2NO2S and a molecular weight of 205.19 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)ethynyl]-4-methoxy-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)ethynyl]-4-methoxy-1,3-thiazole
PubChem CID174331134
Molecular FormulaC7H5F2NO2S
Molecular Weight205.19 g/mol
Exact Mass205.00
IUPAC Name2-[2-(difluoromethoxy)ethynyl]-4-methoxy-1,3-thiazole
SMILESCOc1csc(C#COC(F)F)n1
InChIInChI=1S/C7H5F2NO2S/c1-11-5-4-13-6(10-5)2-3-12-7(8)9/h4,7H,1H3
InChIKeyFLNSQPYVUXSDGN-UHFFFAOYSA-N
XLogP1.70
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)ethynyl]-4-methoxy-1,3-thiazole?
The IUPAC name of 2-[2-(difluoromethoxy)ethynyl]-4-methoxy-1,3-thiazole (CID 174331134) is 2-[2-(difluoromethoxy)ethynyl]-4-methoxy-1,3-thiazole.
What is the SMILES notation for 2-[2-(difluoromethoxy)ethynyl]-4-methoxy-1,3-thiazole?
The canonical SMILES for 2-[2-(difluoromethoxy)ethynyl]-4-methoxy-1,3-thiazole is COc1csc(C#COC(F)F)n1.
What is the InChIKey of 2-[2-(difluoromethoxy)ethynyl]-4-methoxy-1,3-thiazole?
The InChIKey is FLNSQPYVUXSDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO2S/c1-11-5-4-13-6(10-5)2-3-12-7(8)9/h4,7H,1H3.
What are the key properties of 2-[2-(difluoromethoxy)ethynyl]-4-methoxy-1,3-thiazole?
2-[2-(difluoromethoxy)ethynyl]-4-methoxy-1,3-thiazole has a molecular weight of 205.19 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)ethynyl]-4-methoxy-1,3-thiazole is sourced from PubChem (CID 174331134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).