1-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-2-amine

C17H24N2S — CID 79820171

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(C(C)(N)Cc2nc(C(C)(C)C)cs2)cc1
InChIInChI=1S/C17H24N2S/c1-12-6-8-13(9-7-12)17(5,18)10-15-19-14(11-20-15)16(2,3)4/h6-9,11H,10,18H2,1-5H3
InChIKeyPUZHNGNJVHAOSN-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.17
Rot. Bonds3

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-2-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-2-amine (PubChem CID 79820171) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-2-amine
PubChem CID79820171
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(C(C)(N)Cc2nc(C(C)(C)C)cs2)cc1
InChIInChI=1S/C17H24N2S/c1-12-6-8-13(9-7-12)17(5,18)10-15-19-14(11-20-15)16(2,3)4/h6-9,11H,10,18H2,1-5H3
InChIKeyPUZHNGNJVHAOSN-UHFFFAOYSA-N
XLogP4.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-2-amine (CID 79820171) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-2-amine is Cc1ccc(C(C)(N)Cc2nc(C(C)(C)C)cs2)cc1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-2-amine?
The InChIKey is PUZHNGNJVHAOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-12-6-8-13(9-7-12)17(5,18)10-15-19-14(11-20-15)16(2,3)4/h6-9,11H,10,18H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-2-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-2-amine has a molecular weight of 288.46 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 79820171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).