1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C14H16Cl2N2S — CID 62797403

IUPAC1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nc(C)cs1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2N2S/c1-3-17-13(7-14-18-9(2)8-19-14)11-6-10(15)4-5-12(11)16/h4-6,8,13,17H,3,7H2,1-2H3
InChIKeyUHUPZNNTKFESBN-UHFFFAOYSA-N
MW315.27 g/mol
LogP4.65
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 62797403) has the molecular formula C14H16Cl2N2S and a molecular weight of 315.27 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID62797403
Molecular FormulaC14H16Cl2N2S
Molecular Weight315.27 g/mol
Exact Mass314.04
IUPAC Name1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nc(C)cs1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2N2S/c1-3-17-13(7-14-18-9(2)8-19-14)11-6-10(15)4-5-12(11)16/h4-6,8,13,17H,3,7H2,1-2H3
InChIKeyUHUPZNNTKFESBN-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62794990
1-(2-chlorofuran-3-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106692760
1-(4-chloro-3-methylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019377
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(2-methylthiophen-3-yl)ethanamine
CID 102832315
N-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 82769448
1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 81153300
1-(2-tert-butylphenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019330
1-(2,5-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 65321483
1-(2,4-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 82066949
1-(5-chloro-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019329
N-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62796536
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106645514

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 62797403) is 1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is CCNC(Cc1nc(C)cs1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is UHUPZNNTKFESBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2S/c1-3-17-13(7-14-18-9(2)8-19-14)11-6-10(15)4-5-12(11)16/h4-6,8,13,17H,3,7H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 315.27 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 62797403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).