1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine

C17H24N2OS — CID 4022868

IUPAC1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCCOc1cc(C)c(-c2csc(CNC)n2)cc1C(C)C
InChIInChI=1S/C17H24N2OS/c1-6-20-16-7-12(4)14(8-13(16)11(2)3)15-10-21-17(19-15)9-18-5/h7-8,10-11,18H,6,9H2,1-5H3
InChIKeyCBZZKPQYWVTPJV-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.36
Rot. Bonds6

About 1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine

1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine (PubChem CID 4022868) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
PubChem CID4022868
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCCOc1cc(C)c(-c2csc(CNC)n2)cc1C(C)C
InChIInChI=1S/C17H24N2OS/c1-6-20-16-7-12(4)14(8-13(16)11(2)3)15-10-21-17(19-15)9-18-5/h7-8,10-11,18H,6,9H2,1-5H3
InChIKeyCBZZKPQYWVTPJV-UHFFFAOYSA-N
XLogP4.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4309550
1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3647690
[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
CID 3941656
4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 3885478
1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3570184
1-[4-(5-tert-butyl-2,3-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3561586
[4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 39103679
1-[4-(2-ethoxy-5-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3945437
4-(4,5-dimethoxy-2-methylphenyl)-2-ethyl-1,3-thiazole
CID 116970071
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine (CID 4022868) is 1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine is CCOc1cc(C)c(-c2csc(CNC)n2)cc1C(C)C.
What is the InChIKey of 1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The InChIKey is CBZZKPQYWVTPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-6-20-16-7-12(4)14(8-13(16)11(2)3)15-10-21-17(19-15)9-18-5/h7-8,10-11,18H,6,9H2,1-5H3.
What are the key properties of 1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine has a molecular weight of 304.46 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 4022868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).