4-(2,2-difluoroethoxy)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine

C12H20F2N2OS — CID 103149494

IUPAC4-(2,2-difluoroethoxy)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
SMILESCCNC(CCOCC(F)F)Cc1csc(C)n1
InChIInChI=1S/C12H20F2N2OS/c1-3-15-10(4-5-17-7-12(13)14)6-11-8-18-9(2)16-11/h8,10,12,15H,3-7H2,1-2H3
InChIKeyAEJRERPLHWTARD-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.64
Rot. Bonds9

About 4-(2,2-difluoroethoxy)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine

4-(2,2-difluoroethoxy)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine (PubChem CID 103149494) has the molecular formula C12H20F2N2OS and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
PubChem CID103149494
Molecular FormulaC12H20F2N2OS
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name4-(2,2-difluoroethoxy)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
SMILESCCNC(CCOCC(F)F)Cc1csc(C)n1
InChIInChI=1S/C12H20F2N2OS/c1-3-15-10(4-5-17-7-12(13)14)6-11-8-18-9(2)16-11/h8,10,12,15H,3-7H2,1-2H3
InChIKeyAEJRERPLHWTARD-UHFFFAOYSA-N
XLogP2.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-(2,2-difluoroethoxy)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine (CID 103149494) is 4-(2,2-difluoroethoxy)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine is CCNC(CCOCC(F)F)Cc1csc(C)n1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine?
The InChIKey is AEJRERPLHWTARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2OS/c1-3-15-10(4-5-17-7-12(13)14)6-11-8-18-9(2)16-11/h8,10,12,15H,3-7H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethoxy)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine?
4-(2,2-difluoroethoxy)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine has a molecular weight of 278.37 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine is sourced from PubChem (CID 103149494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).