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

C15H26F2N2OS — CID 103149501

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
SMILESCCNC(CCOCC(F)F)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H26F2N2OS/c1-5-18-11(6-7-20-9-13(16)17)8-14-19-12(10-21-14)15(2,3)4/h10-11,13,18H,5-9H2,1-4H3
InChIKeyAHMKADNRWMLHBU-UHFFFAOYSA-N
MW320.45 g/mol
LogP3.63
Rot. Bonds9

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

1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine (PubChem CID 103149501) has the molecular formula C15H26F2N2OS and a molecular weight of 320.45 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
PubChem CID103149501
Molecular FormulaC15H26F2N2OS
Molecular Weight320.45 g/mol
Exact Mass320.17
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
SMILESCCNC(CCOCC(F)F)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H26F2N2OS/c1-5-18-11(6-7-20-9-13(16)17)8-14-19-12(10-21-14)15(2,3)4/h10-11,13,18H,5-9H2,1-4H3
InChIKeyAHMKADNRWMLHBU-UHFFFAOYSA-N
XLogP3.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine (CID 103149501) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine is CCNC(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-ethylbutan-2-amine?
The InChIKey is AHMKADNRWMLHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2OS/c1-5-18-11(6-7-20-9-13(16)17)8-14-19-12(10-21-14)15(2,3)4/h10-11,13,18H,5-9H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine has a molecular weight of 320.45 g/mol, XLogP of 3.63, 9 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-ethylbutan-2-amine is sourced from PubChem (CID 103149501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).