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

C12H12Cl2N2S — CID 43670072

IUPAC3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCc1nc(C(C)Nc2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C12H12Cl2N2S/c1-7(12-6-17-8(2)16-12)15-9-3-4-10(13)11(14)5-9/h3-7,15H,1-2H3
InChIKeyHJRGBCMYKROCHX-UHFFFAOYSA-N
MW287.22 g/mol
LogP4.93
Rot. Bonds3

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

3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline (PubChem CID 43670072) has the molecular formula C12H12Cl2N2S and a molecular weight of 287.22 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
PubChem CID43670072
Molecular FormulaC12H12Cl2N2S
Molecular Weight287.22 g/mol
Exact Mass286.01
IUPAC Name3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCc1nc(C(C)Nc2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C12H12Cl2N2S/c1-7(12-6-17-8(2)16-12)15-9-3-4-10(13)11(14)5-9/h3-7,15H,1-2H3
InChIKeyHJRGBCMYKROCHX-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

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-2-amine
CID 43680346
3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670116
2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670029
3,5-dichloro-4-(difluoromethoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 60935520
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43670073
4-bromo-2,6-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670284
4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 43670343
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline
CID 43716894
2-chloro-6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 66252412
5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione
CID 43670137
2,2-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzodioxol-5-amine
CID 43676344
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-3-amine
CID 66351418

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The IUPAC name of 3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline (CID 43670072) is 3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline is Cc1nc(C(C)Nc2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of 3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
The InChIKey is HJRGBCMYKROCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2S/c1-7(12-6-17-8(2)16-12)15-9-3-4-10(13)11(14)5-9/h3-7,15H,1-2H3.
What are the key properties of 3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline?
3,4-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 3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline is sourced from PubChem (CID 43670072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).