1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine

C14H23F3N2OS — CID 103148250

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCNC(CCOCC(F)(F)F)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H23F3N2OS/c1-13(2,3)11-8-21-12(19-11)7-10(18-4)5-6-20-9-14(15,16)17/h8,10,18H,5-7,9H2,1-4H3
InChIKeyWLHHVLILGUOMSV-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.54
Rot. Bonds7

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine (PubChem CID 103148250) has the molecular formula C14H23F3N2OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
PubChem CID103148250
Molecular FormulaC14H23F3N2OS
Molecular Weight324.41 g/mol
Exact Mass324.15
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCNC(CCOCC(F)(F)F)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H23F3N2OS/c1-13(2,3)11-8-21-12(19-11)7-10(18-4)5-6-20-9-14(15,16)17/h8,10,18H,5-7,9H2,1-4H3
InChIKeyWLHHVLILGUOMSV-UHFFFAOYSA-N
XLogP3.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.54
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)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-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)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine (CID 103148250) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine is CNC(CCOCC(F)(F)F)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The InChIKey is WLHHVLILGUOMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2OS/c1-13(2,3)11-8-21-12(19-11)7-10(18-4)5-6-20-9-14(15,16)17/h8,10,18H,5-7,9H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine has a molecular weight of 324.41 g/mol, XLogP of 3.54, 7 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)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine is sourced from PubChem (CID 103148250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).