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

C16H14Cl2N2S — CID 43213712

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(NCCc3ccc(Cl)cc3Cl)nc2c1
InChIInChI=1S/C16H14Cl2N2S/c1-10-2-5-15-14(8-10)20-16(21-15)19-7-6-11-3-4-12(17)9-13(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,20)
InChIKeyAFKWBYCVBVBVLW-UHFFFAOYSA-N
MW337.28 g/mol
LogP5.57
Rot. Bonds4

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

N-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine (PubChem CID 43213712) has the molecular formula C16H14Cl2N2S and a molecular weight of 337.28 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine
PubChem CID43213712
Molecular FormulaC16H14Cl2N2S
Molecular Weight337.28 g/mol
Exact Mass336.03
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(NCCc3ccc(Cl)cc3Cl)nc2c1
InChIInChI=1S/C16H14Cl2N2S/c1-10-2-5-15-14(8-10)20-16(21-15)19-7-6-11-3-4-12(17)9-13(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,20)
InChIKeyAFKWBYCVBVBVLW-UHFFFAOYSA-N
XLogP5.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.28
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-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

CID 3001119
CID 3001119
CID 2404858
CID 2404858
CID 46879608
CID 46879608
CID 46879822
CID 46879822
CID 46879823
CID 46879823
CID 46879824
CID 46879824
CID 337843
CID 337843
CID 5339871
CID 5339871
CID 1439038
CID 1439038
CID 9616495
CID 9616495
CID 9973922
CID 9973922
CID 15945174
CID 15945174

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine (CID 43213712) is N-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine is Cc1ccc2sc(NCCc3ccc(Cl)cc3Cl)nc2c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine?
The InChIKey is AFKWBYCVBVBVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2S/c1-10-2-5-15-14(8-10)20-16(21-15)19-7-6-11-3-4-12(17)9-13(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,20).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine?
N-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine has a molecular weight of 337.28 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43213712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).