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

C13H14Cl2N2S — CID 63751888

IUPAC3,4-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1nc(C)c(C(C)Nc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C13H14Cl2N2S/c1-7-13(18-9(3)16-7)8(2)17-10-4-5-11(14)12(15)6-10/h4-6,8,17H,1-3H3
InChIKeyPJSJBZLYIFTFML-UHFFFAOYSA-N
MW301.24 g/mol
LogP5.24
Rot. Bonds3

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

3,4-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 63751888) has the molecular formula C13H14Cl2N2S and a molecular weight of 301.24 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
PubChem CID63751888
Molecular FormulaC13H14Cl2N2S
Molecular Weight301.24 g/mol
Exact Mass300.03
IUPAC Name3,4-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1nc(C)c(C(C)Nc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C13H14Cl2N2S/c1-7-13(18-9(3)16-7)8(2)17-10-4-5-11(14)12(15)6-10/h4-6,8,17H,1-3H3
InChIKeyPJSJBZLYIFTFML-UHFFFAOYSA-N
XLogP5.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.24
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluoroaniline
CID 63750612
2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63750614
2-chloro-1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine
CID 55151089
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinolin-6-amine
CID 63753119
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 63751921
4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methoxyaniline
CID 82857898
4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63750764
3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670072
3-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(trifluoromethyl)aniline
CID 116698896
3,5-dichloro-6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,6-diamine
CID 102757058
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluoro-3-nitroaniline
CID 63752593
4-chloro-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide
CID 63751444

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 3,4-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline (CID 63751888) is 3,4-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline is Cc1nc(C)c(C(C)Nc2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of 3,4-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is PJSJBZLYIFTFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2S/c1-7-13(18-9(3)16-7)8(2)17-10-4-5-11(14)12(15)6-10/h4-6,8,17H,1-3H3.
What are the key properties of 3,4-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline?
3,4-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 301.24 g/mol, XLogP of 5.24, 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-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 63751888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).