N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide

C15H10BrCl2N3O2S — CID 91680662

IUPACN-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cc(Br)c3nc(N)sc3c2)cc1Cl
InChIInChI=1S/C15H10BrCl2N3O2S/c1-23-13-9(17)2-6(3-10(13)18)14(22)20-7-4-8(16)12-11(5-7)24-15(19)21-12/h2-5H,1H3,(H2,19,21)(H,20,22)
InChIKeyCLXYRLCECJVAJA-UHFFFAOYSA-N
MW447.14 g/mol
LogP5.21
Rot. Bonds3

About N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide

N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide (PubChem CID 91680662) has the molecular formula C15H10BrCl2N3O2S and a molecular weight of 447.14 g/mol. Its IUPAC name is N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide
PubChem CID91680662
Molecular FormulaC15H10BrCl2N3O2S
Molecular Weight447.14 g/mol
Exact Mass444.91
IUPAC NameN-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cc(Br)c3nc(N)sc3c2)cc1Cl
InChIInChI=1S/C15H10BrCl2N3O2S/c1-23-13-9(17)2-6(3-10(13)18)14(22)20-7-4-8(16)12-11(5-7)24-15(19)21-12/h2-5H,1H3,(H2,19,21)(H,20,22)
InChIKeyCLXYRLCECJVAJA-UHFFFAOYSA-N
XLogP5.21
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.14
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide
CID 91680670
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide
CID 91680564
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-chlorobenzamide
CID 91680546
N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide
CID 91680533
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
CID 91680619
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)-4-phenylbenzamide
CID 91680458
N-(4-amino-2-bromophenyl)-3,5-dichloro-4-methoxybenzamide
CID 100829828
N-[4-(carbamoylamino)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 33153788
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 91680781
N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)butanamide
CID 91680334
N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-2-(4-bromophenoxy)-2-methylpropanamide
CID 91680763

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide?
The IUPAC name of N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide (CID 91680662) is N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide.
What is the SMILES notation for N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide?
The canonical SMILES for N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide is COc1c(Cl)cc(C(=O)Nc2cc(Br)c3nc(N)sc3c2)cc1Cl.
What is the InChIKey of N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide?
The InChIKey is CLXYRLCECJVAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2N3O2S/c1-23-13-9(17)2-6(3-10(13)18)14(22)20-7-4-8(16)12-11(5-7)24-15(19)21-12/h2-5H,1H3,(H2,19,21)(H,20,22).
What are the key properties of N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide?
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide has a molecular weight of 447.14 g/mol, XLogP of 5.21, 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-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide is sourced from PubChem (CID 91680662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).