1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine

C14H24F2N2OS — CID 103149168

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
SMILESCNC(CCOCC(F)F)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H24F2N2OS/c1-14(2,3)11-9-20-13(18-11)7-10(17-4)5-6-19-8-12(15)16/h9-10,12,17H,5-8H2,1-4H3
InChIKeyABUQCOUVTOXVJX-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.24
Rot. Bonds8

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine (PubChem CID 103149168) has the molecular formula C14H24F2N2OS and a molecular weight of 306.42 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
PubChem CID103149168
Molecular FormulaC14H24F2N2OS
Molecular Weight306.42 g/mol
Exact Mass306.16
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
SMILESCNC(CCOCC(F)F)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H24F2N2OS/c1-14(2,3)11-9-20-13(18-11)7-10(17-4)5-6-19-8-12(15)16/h9-10,12,17H,5-8H2,1-4H3
InChIKeyABUQCOUVTOXVJX-UHFFFAOYSA-N
XLogP3.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.24
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 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine (CID 103149168) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine is CNC(CCOCC(F)F)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine?
The InChIKey is ABUQCOUVTOXVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2OS/c1-14(2,3)11-9-20-13(18-11)7-10(17-4)5-6-19-8-12(15)16/h9-10,12,17H,5-8H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine has a molecular weight of 306.42 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine is sourced from PubChem (CID 103149168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).