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

C19H28N2O2S — CID 3561586

IUPAC1-[4-(5-tert-butyl-2,3-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCCOc1cc(C(C)(C)C)cc(-c2csc(CNC)n2)c1OCC
InChIInChI=1S/C19H28N2O2S/c1-7-22-16-10-13(19(3,4)5)9-14(18(16)23-8-2)15-12-24-17(21-15)11-20-6/h9-10,12,20H,7-8,11H2,1-6H3
InChIKeyVSQFFJZARDWKKY-UHFFFAOYSA-N
MW348.51 g/mol
LogP4.62
Rot. Bonds7

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

1-[4-(5-tert-butyl-2,3-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine (PubChem CID 3561586) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 1-[4-(5-tert-butyl-2,3-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(5-tert-butyl-2,3-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
PubChem CID3561586
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name1-[4-(5-tert-butyl-2,3-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCCOc1cc(C(C)(C)C)cc(-c2csc(CNC)n2)c1OCC
InChIInChI=1S/C19H28N2O2S/c1-7-22-16-10-13(19(3,4)5)9-14(18(16)23-8-2)15-12-24-17(21-15)11-20-6/h9-10,12,20H,7-8,11H2,1-6H3
InChIKeyVSQFFJZARDWKKY-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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Related Compounds

1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3570184
1-[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4309550
1-[4-(5-tert-butyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4036816
1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4022868
1-[4-(2-ethoxy-5-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3945437
2-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 5182552
[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
CID 3941656
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4212091
2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4011039
1-[4-(2-methoxy-5-propylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4009901
N-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62543860
5-chloro-2-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115688093

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-tert-butyl-2,3-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(5-tert-butyl-2,3-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine (CID 3561586) is 1-[4-(5-tert-butyl-2,3-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(5-tert-butyl-2,3-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(5-tert-butyl-2,3-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine is CCOc1cc(C(C)(C)C)cc(-c2csc(CNC)n2)c1OCC.
What is the InChIKey of 1-[4-(5-tert-butyl-2,3-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The InChIKey is VSQFFJZARDWKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-7-22-16-10-13(19(3,4)5)9-14(18(16)23-8-2)15-12-24-17(21-15)11-20-6/h9-10,12,20H,7-8,11H2,1-6H3.
What are the key properties of 1-[4-(5-tert-butyl-2,3-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
1-[4-(5-tert-butyl-2,3-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-(5-tert-butyl-2,3-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 3561586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).