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

C17H24N2OS — CID 116773875

IUPAC1-ethoxy-1-phenyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCCNC(Cc1cncs1)C(OCC)c1ccccc1
InChIInChI=1S/C17H24N2OS/c1-3-10-19-16(11-15-12-18-13-21-15)17(20-4-2)14-8-6-5-7-9-14/h5-9,12-13,16-17,19H,3-4,10-11H2,1-2H3
InChIKeyHAAHGTHACJSYIZ-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.83
Rot. Bonds9

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

1-ethoxy-1-phenyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine (PubChem CID 116773875) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-ethoxy-1-phenyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-1-phenyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
PubChem CID116773875
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-ethoxy-1-phenyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCCNC(Cc1cncs1)C(OCC)c1ccccc1
InChIInChI=1S/C17H24N2OS/c1-3-10-19-16(11-15-12-18-13-21-15)17(20-4-2)14-8-6-5-7-9-14/h5-9,12-13,16-17,19H,3-4,10-11H2,1-2H3
InChIKeyHAAHGTHACJSYIZ-UHFFFAOYSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-N-ethyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 116773805
3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 116716182
1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine
CID 116773836
N-(2-ethoxy-2-phenyl-1-pyridin-3-ylethyl)propan-1-amine
CID 116773849
1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine
CID 116773842
1-ethoxy-N-methyl-1-phenyl-3-thiophen-2-ylpropan-2-amine
CID 116773547
N-[1-(2-bromophenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112642896
1-ethoxy-N-ethyl-1-phenylheptan-2-amine
CID 116773710
N-[1-pyrimidin-2-yl-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112642835
1-propan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643118
(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81351888
4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 105178082

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-phenyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of 1-ethoxy-1-phenyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine (CID 116773875) is 1-ethoxy-1-phenyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-ethoxy-1-phenyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-ethoxy-1-phenyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine is CCCNC(Cc1cncs1)C(OCC)c1ccccc1.
What is the InChIKey of 1-ethoxy-1-phenyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is HAAHGTHACJSYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-10-19-16(11-15-12-18-13-21-15)17(20-4-2)14-8-6-5-7-9-14/h5-9,12-13,16-17,19H,3-4,10-11H2,1-2H3.
What are the key properties of 1-ethoxy-1-phenyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
1-ethoxy-1-phenyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-phenyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 116773875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).