N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide

C15H11Cl2N3O2S — CID 91680564

IUPACN-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide
SMILESCOc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)cc2sc(N)nc12
InChIInChI=1S/C15H11Cl2N3O2S/c1-22-11-5-8(6-12-13(11)20-15(18)23-12)19-14(21)7-2-3-9(16)10(17)4-7/h2-6H,1H3,(H2,18,20)(H,19,21)
InChIKeyXSBSIJBNJAYPOH-UHFFFAOYSA-N
MW368.25 g/mol
LogP4.45
Rot. Bonds3

About N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide

N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide (PubChem CID 91680564) has the molecular formula C15H11Cl2N3O2S and a molecular weight of 368.25 g/mol. Its IUPAC name is N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide
PubChem CID91680564
Molecular FormulaC15H11Cl2N3O2S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC NameN-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide
SMILESCOc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)cc2sc(N)nc12
InChIInChI=1S/C15H11Cl2N3O2S/c1-22-11-5-8(6-12-13(11)20-15(18)23-12)19-14(21)7-2-3-9(16)10(17)4-7/h2-6H,1H3,(H2,18,20)(H,19,21)
InChIKeyXSBSIJBNJAYPOH-UHFFFAOYSA-N
XLogP4.45
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide 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

N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 91680458
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide
CID 91680609
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 91680626
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide
CID 91680662
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide
CID 168522593
N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide
CID 91680533
(2S)-N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 100804759
2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 141297595
2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 91680806
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide
CID 91680807
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide
CID 91680598

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide?
The IUPAC name of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide (CID 91680564) is N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide.
What is the SMILES notation for N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide?
The canonical SMILES for N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide is COc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)cc2sc(N)nc12.
What is the InChIKey of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide?
The InChIKey is XSBSIJBNJAYPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2S/c1-22-11-5-8(6-12-13(11)20-15(18)23-12)19-14(21)7-2-3-9(16)10(17)4-7/h2-6H,1H3,(H2,18,20)(H,19,21).
What are the key properties of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide?
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide has a molecular weight of 368.25 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide is sourced from PubChem (CID 91680564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).