2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine

C13H14Cl2N2OS — CID 3910621

IUPAC2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCCOc1c(Cl)cc(Cl)cc1-c1csc(CCN)n1
InChIInChI=1S/C13H14Cl2N2OS/c1-2-18-13-9(5-8(14)6-10(13)15)11-7-19-12(17-11)3-4-16/h5-7H,2-4,16H2,1H3
InChIKeyYYPTVCZSOKOIMD-UHFFFAOYSA-N
MW317.24 g/mol
LogP4.02
Rot. Bonds5

About 2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine

2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 3910621) has the molecular formula C13H14Cl2N2OS and a molecular weight of 317.24 g/mol. Its IUPAC name is 2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID3910621
Molecular FormulaC13H14Cl2N2OS
Molecular Weight317.24 g/mol
Exact Mass316.02
IUPAC Name2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCCOc1c(Cl)cc(Cl)cc1-c1csc(CCN)n1
InChIInChI=1S/C13H14Cl2N2OS/c1-2-18-13-9(5-8(14)6-10(13)15)11-7-19-12(17-11)3-4-16/h5-7H,2-4,16H2,1H3
InChIKeyYYPTVCZSOKOIMD-UHFFFAOYSA-N
XLogP4.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3261335
2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3312423
2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3920686
2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4223787
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 1497789
2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4031915
[4-(2-ethoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
CID 5039538
2-[4-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3468254
2-[4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3346581
5-(3,5-dichloro-2-ethoxyphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3793490
[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
CID 3941656
2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole
CID 116970319

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine (CID 3910621) is 2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine is CCOc1c(Cl)cc(Cl)cc1-c1csc(CCN)n1.
What is the InChIKey of 2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is YYPTVCZSOKOIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2OS/c1-2-18-13-9(5-8(14)6-10(13)15)11-7-19-12(17-11)3-4-16/h5-7H,2-4,16H2,1H3.
What are the key properties of 2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 317.24 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dichloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 3910621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).