2-[2-(2,2-difluoroethoxy)ethyl]-4-(dimethoxymethyl)-1,3-thiazole

C10H15F2NO3S — CID 103146559

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-4-(dimethoxymethyl)-1,3-thiazole
SMILESCOC(OC)c1csc(CCOCC(F)F)n1
InChIInChI=1S/C10H15F2NO3S/c1-14-10(15-2)7-6-17-9(13-7)3-4-16-5-8(11)12/h6,8,10H,3-5H2,1-2H3
InChIKeyKSSRVTWGEPUZNY-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.26
Rot. Bonds8

About 2-[2-(2,2-difluoroethoxy)ethyl]-4-(dimethoxymethyl)-1,3-thiazole

2-[2-(2,2-difluoroethoxy)ethyl]-4-(dimethoxymethyl)-1,3-thiazole (PubChem CID 103146559) has the molecular formula C10H15F2NO3S and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-4-(dimethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-4-(dimethoxymethyl)-1,3-thiazole
PubChem CID103146559
Molecular FormulaC10H15F2NO3S
Molecular Weight267.30 g/mol
Exact Mass267.07
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-4-(dimethoxymethyl)-1,3-thiazole
SMILESCOC(OC)c1csc(CCOCC(F)F)n1
InChIInChI=1S/C10H15F2NO3S/c1-14-10(15-2)7-6-17-9(13-7)3-4-16-5-8(11)12/h6,8,10H,3-5H2,1-2H3
InChIKeyKSSRVTWGEPUZNY-UHFFFAOYSA-N
XLogP2.26
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-4-(dimethoxymethyl)-1,3-thiazole?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-4-(dimethoxymethyl)-1,3-thiazole (CID 103146559) is 2-[2-(2,2-difluoroethoxy)ethyl]-4-(dimethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-4-(dimethoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-4-(dimethoxymethyl)-1,3-thiazole is COC(OC)c1csc(CCOCC(F)F)n1.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-4-(dimethoxymethyl)-1,3-thiazole?
The InChIKey is KSSRVTWGEPUZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO3S/c1-14-10(15-2)7-6-17-9(13-7)3-4-16-5-8(11)12/h6,8,10H,3-5H2,1-2H3.
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-4-(dimethoxymethyl)-1,3-thiazole?
2-[2-(2,2-difluoroethoxy)ethyl]-4-(dimethoxymethyl)-1,3-thiazole has a molecular weight of 267.30 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-4-(dimethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 103146559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).