2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole

C8H11F2NOS — CID 103151267

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole
SMILESCc1cnc(CCOCC(F)F)s1
InChIInChI=1S/C8H11F2NOS/c1-6-4-11-8(13-6)2-3-12-5-7(9)10/h4,7H,2-3,5H2,1H3
InChIKeyDUHSGEUUVVLTAQ-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.28
Rot. Bonds5

About 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole

2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole (PubChem CID 103151267) has the molecular formula C8H11F2NOS and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole
PubChem CID103151267
Molecular FormulaC8H11F2NOS
Molecular Weight207.24 g/mol
Exact Mass207.05
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole
SMILESCc1cnc(CCOCC(F)F)s1
InChIInChI=1S/C8H11F2NOS/c1-6-4-11-8(13-6)2-3-12-5-7(9)10/h4,7H,2-3,5H2,1H3
InChIKeyDUHSGEUUVVLTAQ-UHFFFAOYSA-N
XLogP2.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole (CID 103151267) is 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole is Cc1cnc(CCOCC(F)F)s1.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole?
The InChIKey is DUHSGEUUVVLTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NOS/c1-6-4-11-8(13-6)2-3-12-5-7(9)10/h4,7H,2-3,5H2,1H3.
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole?
2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole has a molecular weight of 207.24 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 103151267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).