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

C12H12Cl2N2S — CID 107311807

IUPAC2-(2,3-dichlorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(N)Cc2cccc(Cl)c2Cl)cs1
InChIInChI=1S/C12H12Cl2N2S/c1-7-16-11(6-17-7)10(15)5-8-3-2-4-9(13)12(8)14/h2-4,6,10H,5,15H2,1H3
InChIKeyZNUCHQDKIBSZCU-UHFFFAOYSA-N
MW287.22 g/mol
LogP4.00
Rot. Bonds3

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

2-(2,3-dichlorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 107311807) has the molecular formula C12H12Cl2N2S and a molecular weight of 287.22 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID107311807
Molecular FormulaC12H12Cl2N2S
Molecular Weight287.22 g/mol
Exact Mass286.01
IUPAC Name2-(2,3-dichlorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(N)Cc2cccc(Cl)c2Cl)cs1
InChIInChI=1S/C12H12Cl2N2S/c1-7-16-11(6-17-7)10(15)5-8-3-2-4-9(13)12(8)14/h2-4,6,10H,5,15H2,1H3
InChIKeyZNUCHQDKIBSZCU-UHFFFAOYSA-N
XLogP4.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107312388
2-(2,3-dichlorophenyl)-1-(2H-triazol-4-yl)ethanamine
CID 107308912
2-(2,5-difluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105105222
[(2,3-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 105301689
(2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105099807
2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107311802
(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
CID 55296429
2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 107312036
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105180369
2-(2,3-dichlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 107312168
2-(2-chloro-3-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 112653700
2-(2,3-dichlorophenyl)-1-(6-methyl-2-pyridinyl)ethanol
CID 107308138

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 107311807) is 2-(2,3-dichlorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(C(N)Cc2cccc(Cl)c2Cl)cs1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is ZNUCHQDKIBSZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2S/c1-7-16-11(6-17-7)10(15)5-8-3-2-4-9(13)12(8)14/h2-4,6,10H,5,15H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
2-(2,3-dichlorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 287.22 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 107311807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).