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

C13H22F2N2OS — CID 103149872

IUPAC4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCOCC(F)F)Cc1nc(C)cs1
InChIInChI=1S/C13H22F2N2OS/c1-3-5-16-11(4-6-18-8-12(14)15)7-13-17-10(2)9-19-13/h9,11-12,16H,3-8H2,1-2H3
InChIKeyCADPFPWIYRDICG-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.03
Rot. Bonds10

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

4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine (PubChem CID 103149872) has the molecular formula C13H22F2N2OS and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
PubChem CID103149872
Molecular FormulaC13H22F2N2OS
Molecular Weight292.39 g/mol
Exact Mass292.14
IUPAC Name4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCOCC(F)F)Cc1nc(C)cs1
InChIInChI=1S/C13H22F2N2OS/c1-3-5-16-11(4-6-18-8-12(14)15)7-13-17-10(2)9-19-13/h9,11-12,16H,3-8H2,1-2H3
InChIKeyCADPFPWIYRDICG-UHFFFAOYSA-N
XLogP3.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.03
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)-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine (CID 103149872) is 4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine is CCCNC(CCOCC(F)F)Cc1nc(C)cs1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine?
The InChIKey is CADPFPWIYRDICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2OS/c1-3-5-16-11(4-6-18-8-12(14)15)7-13-17-10(2)9-19-13/h9,11-12,16H,3-8H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine?
4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine has a molecular weight of 292.39 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 103149872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).