5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine

C15H11Cl3N2S — CID 43306407

IUPAC5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine
SMILESCC(Nc1nc2cc(Cl)ccc2s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl3N2S/c1-8(11-4-2-9(16)6-12(11)18)19-15-20-13-7-10(17)3-5-14(13)21-15/h2-8H,1H3,(H,19,20)
InChIKeyXWFZNKDRNBEQFN-UHFFFAOYSA-N
MW357.69 g/mol
LogP6.43
Rot. Bonds3

About 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine

5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine (PubChem CID 43306407) has the molecular formula C15H11Cl3N2S and a molecular weight of 357.69 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine
PubChem CID43306407
Molecular FormulaC15H11Cl3N2S
Molecular Weight357.69 g/mol
Exact Mass355.97
IUPAC Name5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine
SMILESCC(Nc1nc2cc(Cl)ccc2s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl3N2S/c1-8(11-4-2-9(16)6-12(11)18)19-15-20-13-7-10(17)3-5-14(13)21-15/h2-8H,1H3,(H,19,20)
InChIKeyXWFZNKDRNBEQFN-UHFFFAOYSA-N
XLogP6.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.69
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine
CID 43524200
N-[1-(2-chlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 63544982
2-[1-(2,4-dichlorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569495
6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine
CID 79525014
3-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65272589
N-[1-(2,4-dichlorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682693
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906846
ethyl 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]propanoate
CID 54960138
5-chloro-N-octan-4-yl-1,3-benzothiazol-2-amine
CID 106027403
5-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 43306502
3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 81037751
6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62481913

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine (CID 43306407) is 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine is CC(Nc1nc2cc(Cl)ccc2s1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is XWFZNKDRNBEQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2S/c1-8(11-4-2-9(16)6-12(11)18)19-15-20-13-7-10(17)3-5-14(13)21-15/h2-8H,1H3,(H,19,20).
What are the key properties of 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine?
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 357.69 g/mol, XLogP of 6.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43306407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).