N-[1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

C16H22N2OS — CID 62651370

IUPACN-[1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(-c2cccc(OCC)c2)s1
InChIInChI=1S/C16H22N2OS/c1-4-9-17-12(3)15-11-18-16(20-15)13-7-6-8-14(10-13)19-5-2/h6-8,10-12,17H,4-5,9H2,1-3H3
InChIKeyGUFLQLGRZMCZMG-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.27
Rot. Bonds7

About N-[1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

N-[1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 62651370) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID62651370
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(-c2cccc(OCC)c2)s1
InChIInChI=1S/C16H22N2OS/c1-4-9-17-12(3)15-11-18-16(20-15)13-7-6-8-14(10-13)19-5-2/h6-8,10-12,17H,4-5,9H2,1-3H3
InChIKeyGUFLQLGRZMCZMG-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62651552
N-[1-(2-quinolin-6-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 63095112
N-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 65022602
N-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine
CID 55102639
1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 61280554
N-ethyl-1-[2-(3-nitrophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653364
N-[1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106849418
N-[1-[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 79980515
N-[1-[2-(2-nitrophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62653753
N-[1-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 66161070
N-[1-[2-(2-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 79978094
N-[(1S)-1-(3-ethoxyphenyl)ethyl]butan-1-amine
CID 99695653

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 62651370) is N-[1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1cnc(-c2cccc(OCC)c2)s1.
What is the InChIKey of N-[1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is GUFLQLGRZMCZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-9-17-12(3)15-11-18-16(20-15)13-7-6-8-14(10-13)19-5-2/h6-8,10-12,17H,4-5,9H2,1-3H3.
What are the key properties of N-[1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62651370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).