1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine

C19H28N2O2S — CID 3570184

IUPAC1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCCOc1cc(C(C)(C)C)c(OCC)cc1-c1csc(CNC)n1
InChIInChI=1S/C19H28N2O2S/c1-7-22-16-10-14(19(3,4)5)17(23-8-2)9-13(16)15-12-24-18(21-15)11-20-6/h9-10,12,20H,7-8,11H2,1-6H3
InChIKeyLCKJUAAADLYUBC-UHFFFAOYSA-N
MW348.51 g/mol
LogP4.62
Rot. Bonds7

About 1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine

1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine (PubChem CID 3570184) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
PubChem CID3570184
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCCOc1cc(C(C)(C)C)c(OCC)cc1-c1csc(CNC)n1
InChIInChI=1S/C19H28N2O2S/c1-7-22-16-10-14(19(3,4)5)17(23-8-2)9-13(16)15-12-24-18(21-15)11-20-6/h9-10,12,20H,7-8,11H2,1-6H3
InChIKeyLCKJUAAADLYUBC-UHFFFAOYSA-N
XLogP4.62
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine (CID 3570184) is 1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine is CCOc1cc(C(C)(C)C)c(OCC)cc1-c1csc(CNC)n1.
What is the InChIKey of 1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The InChIKey is LCKJUAAADLYUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-7-22-16-10-14(19(3,4)5)17(23-8-2)9-13(16)15-12-24-18(21-15)11-20-6/h9-10,12,20H,7-8,11H2,1-6H3.
What are the key properties of 1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine has a molecular weight of 348.51 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 3570184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).