2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline

C12H12Cl2N2S — CID 43670029

IUPAC2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCc1nc(C(C)Nc2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C12H12Cl2N2S/c1-7(12-6-17-8(2)16-12)15-11-4-3-9(13)5-10(11)14/h3-7,15H,1-2H3
InChIKeyAMXLRMKFIXQCOG-UHFFFAOYSA-N
MW287.22 g/mol
LogP4.93
Rot. Bonds3

About 2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline

2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline (PubChem CID 43670029) has the molecular formula C12H12Cl2N2S and a molecular weight of 287.22 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
PubChem CID43670029
Molecular FormulaC12H12Cl2N2S
Molecular Weight287.22 g/mol
Exact Mass286.01
IUPAC Name2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCc1nc(C(C)Nc2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C12H12Cl2N2S/c1-7(12-6-17-8(2)16-12)15-11-4-3-9(13)5-10(11)14/h3-7,15H,1-2H3
InChIKeyAMXLRMKFIXQCOG-UHFFFAOYSA-N
XLogP4.93
TPSA24.92 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 ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670072
2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108737213
4-bromo-2,6-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670284
(1S)-1-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81353433
2-chloro-6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 66252412
2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline
CID 60935222
2-methylsulfanyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43683530
3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670116
2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43682979
2-bromo-5-fluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 107633286
4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 54865366
2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 43758710

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The IUPAC name of 2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline (CID 43670029) is 2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline is Cc1nc(C(C)Nc2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The InChIKey is AMXLRMKFIXQCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2S/c1-7(12-6-17-8(2)16-12)15-11-4-3-9(13)5-10(11)14/h3-7,15H,1-2H3.
What are the key properties of 2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline has a molecular weight of 287.22 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline is sourced from PubChem (CID 43670029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).