2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline

C13H13Cl3N2S — CID 63750614

IUPAC2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1nc(C)c(C(C)Nc2c(Cl)cc(Cl)cc2Cl)s1
InChIInChI=1S/C13H13Cl3N2S/c1-6-13(19-8(3)17-6)7(2)18-12-10(15)4-9(14)5-11(12)16/h4-5,7,18H,1-3H3
InChIKeyKYZBYEODUNXEPN-UHFFFAOYSA-N
MW335.69 g/mol
LogP5.89
Rot. Bonds3

About 2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline

2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 63750614) has the molecular formula C13H13Cl3N2S and a molecular weight of 335.69 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
PubChem CID63750614
Molecular FormulaC13H13Cl3N2S
Molecular Weight335.69 g/mol
Exact Mass333.99
IUPAC Name2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1nc(C)c(C(C)Nc2c(Cl)cc(Cl)cc2Cl)s1
InChIInChI=1S/C13H13Cl3N2S/c1-6-13(19-8(3)17-6)7(2)18-12-10(15)4-9(14)5-11(12)16/h4-5,7,18H,1-3H3
InChIKeyKYZBYEODUNXEPN-UHFFFAOYSA-N
XLogP5.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.69
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline (CID 63750614) is 2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline is Cc1nc(C)c(C(C)Nc2c(Cl)cc(Cl)cc2Cl)s1.
What is the InChIKey of 2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is KYZBYEODUNXEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl3N2S/c1-6-13(19-8(3)17-6)7(2)18-12-10(15)4-9(14)5-11(12)16/h4-5,7,18H,1-3H3.
What are the key properties of 2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline?
2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 335.69 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 63750614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).