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

C18H26N2OS — CID 3647690

IUPAC1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCCOc1cc(C)c(-c2csc(C(C)NC)n2)cc1C(C)C
InChIInChI=1S/C18H26N2OS/c1-7-21-17-8-12(4)15(9-14(17)11(2)3)16-10-22-18(20-16)13(5)19-6/h8-11,13,19H,7H2,1-6H3
InChIKeyNPKVLEWMKOIMGB-UHFFFAOYSA-N
MW318.49 g/mol
LogP4.92
Rot. Bonds6

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

1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 3647690) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is 1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID3647690
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCCOc1cc(C)c(-c2csc(C(C)NC)n2)cc1C(C)C
InChIInChI=1S/C18H26N2OS/c1-7-21-17-8-12(4)15(9-14(17)11(2)3)16-10-22-18(20-16)13(5)19-6/h8-11,13,19H,7H2,1-6H3
InChIKeyNPKVLEWMKOIMGB-UHFFFAOYSA-N
XLogP4.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4022868
1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4308987
1-[4-(5-chloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 5239205
1-[4-(4-bromo-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3906583
1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3404523
1-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3261335
4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 3885478
1-[4-(4-ethoxy-3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3616998
[4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 39103679
1-[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4309550
1-[4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4569861
N-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4984856

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-methylethanamine?
The IUPAC name of 1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine (CID 3647690) is 1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine is CCOc1cc(C)c(-c2csc(C(C)NC)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-methylethanamine?
The InChIKey is NPKVLEWMKOIMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-7-21-17-8-12(4)15(9-14(17)11(2)3)16-10-22-18(20-16)13(5)19-6/h8-11,13,19H,7H2,1-6H3.
What are the key properties of 1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine has a molecular weight of 318.49 g/mol, XLogP of 4.92, 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-methylethanamine is sourced from PubChem (CID 3647690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).