1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine

C13H14Cl2N2S — CID 105019614

IUPAC1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1nc(CC(N)c2c(Cl)cccc2Cl)sc1C
InChIInChI=1S/C13H14Cl2N2S/c1-7-8(2)18-12(17-7)6-11(16)13-9(14)4-3-5-10(13)15/h3-5,11H,6,16H2,1-2H3
InChIKeyUWGPWEHQRMNFCM-UHFFFAOYSA-N
MW301.24 g/mol
LogP4.31
Rot. Bonds3

About 1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine

1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 105019614) has the molecular formula C13H14Cl2N2S and a molecular weight of 301.24 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
PubChem CID105019614
Molecular FormulaC13H14Cl2N2S
Molecular Weight301.24 g/mol
Exact Mass300.03
IUPAC Name1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1nc(CC(N)c2c(Cl)cccc2Cl)sc1C
InChIInChI=1S/C13H14Cl2N2S/c1-7-8(2)18-12(17-7)6-11(16)13-9(14)4-3-5-10(13)15/h3-5,11H,6,16H2,1-2H3
InChIKeyUWGPWEHQRMNFCM-UHFFFAOYSA-N
XLogP4.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019849
1-(2,3-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019795
1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 107953462
[1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105264290
1-(2,6-dichlorophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61331729
1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol
CID 82806249
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 105019640
1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842355
1-(2,6-difluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine
CID 105019585
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyphenyl)ethanamine
CID 82066800
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105019639
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105019755

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine (CID 105019614) is 1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine is Cc1nc(CC(N)c2c(Cl)cccc2Cl)sc1C.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is UWGPWEHQRMNFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2S/c1-7-8(2)18-12(17-7)6-11(16)13-9(14)4-3-5-10(13)15/h3-5,11H,6,16H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine?
1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 301.24 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105019614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).