3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline

C12H12Cl2N2S — CID 62071151

IUPAC3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ncsc1CCNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N2S/c1-8-12(17-7-16-8)4-5-15-9-2-3-10(13)11(14)6-9/h2-3,6-7,15H,4-5H2,1H3
InChIKeyYKCOLLXHIJSHMJ-UHFFFAOYSA-N
MW287.22 g/mol
LogP4.41
Rot. Bonds4

About 3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline

3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 62071151) has the molecular formula C12H12Cl2N2S and a molecular weight of 287.22 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
PubChem CID62071151
Molecular FormulaC12H12Cl2N2S
Molecular Weight287.22 g/mol
Exact Mass286.01
IUPAC Name3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ncsc1CCNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N2S/c1-8-12(17-7-16-8)4-5-15-9-2-3-10(13)11(14)6-9/h2-3,6-7,15H,4-5H2,1H3
InChIKeyYKCOLLXHIJSHMJ-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5-trichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62072016
4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62069570
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylaniline
CID 62253869
3,4,5-trifluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62809929
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 62070801
5-chloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 65473320
5,7-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 65473503
(1S)-1-(3-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81372103
2,3,5-trifluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62809050
4-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile
CID 62104295
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 62071321
5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile
CID 82016405

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (CID 62071151) is 3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is Cc1ncsc1CCNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is YKCOLLXHIJSHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2S/c1-8-12(17-7-16-8)4-5-15-9-2-3-10(13)11(14)6-9/h2-3,6-7,15H,4-5H2,1H3.
What are the key properties of 3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 287.22 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 62071151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).