2-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine

C17H24N2S — CID 82438558

IUPAC2-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCc1ccc(-c2nc(C(C)(C)C)c(C(C)(C)N)s2)cc1
InChIInChI=1S/C17H24N2S/c1-11-7-9-12(10-8-11)15-19-13(16(2,3)4)14(20-15)17(5,6)18/h7-10H,18H2,1-6H3
InChIKeyKEHCEGURJHQRBA-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.61
Rot. Bonds2

About 2-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine

2-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82438558) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82438558
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name2-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCc1ccc(-c2nc(C(C)(C)C)c(C(C)(C)N)s2)cc1
InChIInChI=1S/C17H24N2S/c1-11-7-9-12(10-8-11)15-19-13(16(2,3)4)14(20-15)17(5,6)18/h7-10H,18H2,1-6H3
InChIKeyKEHCEGURJHQRBA-UHFFFAOYSA-N
XLogP4.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82438547
2-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82438554
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82425850
N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82438551
2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427139
2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114358827
4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-amine
CID 15123518
2-[4-ethyl-2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82430074
4-tert-butyl-2-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile
CID 82438533
4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbothioamide
CID 82425828
[4-tert-butyl-2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82439217
methyl 2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylate
CID 114358824

Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine (CID 82438558) is 2-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine is Cc1ccc(-c2nc(C(C)(C)C)c(C(C)(C)N)s2)cc1.
What is the InChIKey of 2-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is KEHCEGURJHQRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-11-7-9-12(10-8-11)15-19-13(16(2,3)4)14(20-15)17(5,6)18/h7-10H,18H2,1-6H3.
What are the key properties of 2-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine?
2-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 288.46 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82438558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).