1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine

C13H14Cl2N2S — CID 62651933

IUPAC1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(-c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C13H14Cl2N2S/c1-3-16-8(2)11-7-17-13(18-11)12-9(14)5-4-6-10(12)15/h4-8,16H,3H2,1-2H3
InChIKeyQEVRDKLFVHNDPJ-UHFFFAOYSA-N
MW301.24 g/mol
LogP4.79
Rot. Bonds4

About 1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine

1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine (PubChem CID 62651933) has the molecular formula C13H14Cl2N2S and a molecular weight of 301.24 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
PubChem CID62651933
Molecular FormulaC13H14Cl2N2S
Molecular Weight301.24 g/mol
Exact Mass300.03
IUPAC Name1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(-c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C13H14Cl2N2S/c1-3-16-8(2)11-7-17-13(18-11)12-9(14)5-4-6-10(12)15/h4-8,16H,3H2,1-2H3
InChIKeyQEVRDKLFVHNDPJ-UHFFFAOYSA-N
XLogP4.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62652298
1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62651174
N-ethyl-1-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]ethanamine
CID 55102639
1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 63024387
1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 65022560
N-ethyl-1-(2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine
CID 62653180
1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 55102445
N-ethyl-1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 65197718
N-ethyl-1-[2-(3-nitrophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653364
1-[2-(7-chloro-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62652293
N-ethyl-1-[2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 66118304
1-[2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 66146662

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine (CID 62651933) is 1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine is CCNC(C)c1cnc(-c2c(Cl)cccc2Cl)s1.
What is the InChIKey of 1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine?
The InChIKey is QEVRDKLFVHNDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2S/c1-3-16-8(2)11-7-17-13(18-11)12-9(14)5-4-6-10(12)15/h4-8,16H,3H2,1-2H3.
What are the key properties of 1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine?
1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine has a molecular weight of 301.24 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 62651933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).