1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine

C16H22N2OS — CID 116774603

IUPAC1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1csc(C(OCC)c2ccccc2)n1
InChIInChI=1S/C16H22N2OS/c1-4-17-12(3)14-11-20-16(18-14)15(19-5-2)13-9-7-6-8-10-13/h6-12,15,17H,4-5H2,1-3H3
InChIKeyCFMSAUMPMJOLQQ-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.94
Rot. Bonds7

About 1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine

1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine (PubChem CID 116774603) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine
PubChem CID116774603
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1csc(C(OCC)c2ccccc2)n1
InChIInChI=1S/C16H22N2OS/c1-4-17-12(3)14-11-20-16(18-14)15(19-5-2)13-9-7-6-8-10-13/h6-12,15,17H,4-5H2,1-3H3
InChIKeyCFMSAUMPMJOLQQ-UHFFFAOYSA-N
XLogP3.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[ethoxy(phenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
CID 116774268
N-ethyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)ethanamine
CID 64545111
methyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 116744555
4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine
CID 121010363
N-ethyl-2-phenyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61331441
4-(3-chloropropyl)-2-[ethoxy(phenyl)methyl]-1,3-thiazole
CID 116744336
2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116744578
N-[1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 116727826
1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64544083
1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116727809
N-[[2-[ethoxy(phenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774375
4-[1-(ethylamino)ethyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 64542711

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine (CID 116774603) is 1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine is CCNC(C)c1csc(C(OCC)c2ccccc2)n1.
What is the InChIKey of 1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine?
The InChIKey is CFMSAUMPMJOLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-17-12(3)14-11-20-16(18-14)15(19-5-2)13-9-7-6-8-10-13/h6-12,15,17H,4-5H2,1-3H3.
What are the key properties of 1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine?
1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine is sourced from PubChem (CID 116774603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).