1-ethoxy-N-ethyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-amine

C16H22N2OS — CID 116773805

IUPAC1-ethoxy-N-ethyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCNC(Cc1cncs1)C(OCC)c1ccccc1
InChIInChI=1S/C16H22N2OS/c1-3-18-15(10-14-11-17-12-20-14)16(19-4-2)13-8-6-5-7-9-13/h5-9,11-12,15-16,18H,3-4,10H2,1-2H3
InChIKeySEZNVGSXXDTOAG-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.44
Rot. Bonds8

About 1-ethoxy-N-ethyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-amine

1-ethoxy-N-ethyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-amine (PubChem CID 116773805) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-ethoxy-N-ethyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-ethyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-amine
PubChem CID116773805
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-ethoxy-N-ethyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCNC(Cc1cncs1)C(OCC)c1ccccc1
InChIInChI=1S/C16H22N2OS/c1-3-18-15(10-14-11-17-12-20-14)16(19-4-2)13-8-6-5-7-9-13/h5-9,11-12,15-16,18H,3-4,10H2,1-2H3
InChIKeySEZNVGSXXDTOAG-UHFFFAOYSA-N
XLogP3.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-1-phenyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 116773875
N-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 112643040
1-ethoxy-N-ethyl-1-phenylheptan-2-amine
CID 116773710
1-ethoxy-N-ethyl-3-(furan-3-yl)-1-phenylpropan-2-amine
CID 116773731
1-ethoxy-N-methyl-1-phenyl-3-thiophen-2-ylpropan-2-amine
CID 116773547
1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine
CID 116773735
3-cyclopentyl-1-ethoxy-N-ethyl-1-phenylpropan-2-amine
CID 116773746
1-cyclopropyl-N-ethyl-1-methoxy-3-(1,3-thiazol-5-yl)propan-2-amine
CID 116722677
1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030338
(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81351888
[3-(5-chlorothiophen-2-yl)-1-ethoxy-1-phenylpropan-2-yl]hydrazine
CID 105279353
5-(3-bromo-2-methyl-3-phenylpropyl)-1,3-thiazole
CID 104846594

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-ethyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of 1-ethoxy-N-ethyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-amine (CID 116773805) is 1-ethoxy-N-ethyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-ethoxy-N-ethyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-ethoxy-N-ethyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-amine is CCNC(Cc1cncs1)C(OCC)c1ccccc1.
What is the InChIKey of 1-ethoxy-N-ethyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is SEZNVGSXXDTOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-18-15(10-14-11-17-12-20-14)16(19-4-2)13-8-6-5-7-9-13/h5-9,11-12,15-16,18H,3-4,10H2,1-2H3.
What are the key properties of 1-ethoxy-N-ethyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-amine?
1-ethoxy-N-ethyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-ethyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 116773805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).