1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-amine

C17H24N2S — CID 79817396

IUPAC1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-amine
SMILESCCC(N)c1ccc(Cc2nc(C(C)(C)C)cs2)cc1
InChIInChI=1S/C17H24N2S/c1-5-14(18)13-8-6-12(7-9-13)10-16-19-15(11-20-16)17(2,3)4/h6-9,11,14H,5,10,18H2,1-4H3
InChIKeyLODQJIZORWCFTC-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.44
Rot. Bonds4

About 1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-amine

1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-amine (PubChem CID 79817396) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-amine
PubChem CID79817396
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-amine
SMILESCCC(N)c1ccc(Cc2nc(C(C)(C)C)cs2)cc1
InChIInChI=1S/C17H24N2S/c1-5-14(18)13-8-6-12(7-9-13)10-16-19-15(11-20-16)17(2,3)4/h6-9,11,14H,5,10,18H2,1-4H3
InChIKeyLODQJIZORWCFTC-UHFFFAOYSA-N
XLogP4.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-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-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-amine?
The IUPAC name of 1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-amine (CID 79817396) is 1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-amine?
The canonical SMILES for 1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-amine is CCC(N)c1ccc(Cc2nc(C(C)(C)C)cs2)cc1.
What is the InChIKey of 1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-amine?
The InChIKey is LODQJIZORWCFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-5-14(18)13-8-6-12(7-9-13)10-16-19-15(11-20-16)17(2,3)4/h6-9,11,14H,5,10,18H2,1-4H3.
What are the key properties of 1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-amine?
1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-amine is sourced from PubChem (CID 79817396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).