5-bromo-2-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide

C20H12BrCl2N3OS — CID 43986492

IUPAC5-bromo-2-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1cc(Br)ccc1Cl)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C20H12BrCl2N3OS/c21-12-7-8-15(22)14(10-12)19(27)26(11-13-4-1-2-9-24-13)20-25-18-16(23)5-3-6-17(18)28-20/h1-10H,11H2
InChIKeyFZPXAZVDJLXENO-UHFFFAOYSA-N
MW493.21 g/mol
LogP6.61
Rot. Bonds4

About 5-bromo-2-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide

5-bromo-2-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 43986492) has the molecular formula C20H12BrCl2N3OS and a molecular weight of 493.21 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID43986492
Molecular FormulaC20H12BrCl2N3OS
Molecular Weight493.21 g/mol
Exact Mass490.93
IUPAC Name5-bromo-2-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1cc(Br)ccc1Cl)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C20H12BrCl2N3OS/c21-12-7-8-15(22)14(10-12)19(27)26(11-13-4-1-2-9-24-13)20-25-18-16(23)5-3-6-17(18)28-20/h1-10H,11H2
InChIKeyFZPXAZVDJLXENO-UHFFFAOYSA-N
XLogP6.61
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.21
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide 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-(4-chloro-1,3-benzothiazol-2-yl)-2-iodo-N-(pyridin-2-ylmethyl)benzamide
CID 41055534
5-bromo-2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986481
N-(4-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-2-ylmethyl)naphthalene-2-carboxamide
CID 41055540
5-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 41055502
2,5-dichloro-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41055381
5-bromo-2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986482
N-(4-chloro-1,3-benzothiazol-2-yl)-3,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 43986002
5-bromo-2-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986495
4-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41117463
2-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41117465
N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 41004764
N-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
CID 43987288

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide (CID 43986492) is 5-bromo-2-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide is O=C(c1cc(Br)ccc1Cl)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1.
What is the InChIKey of 5-bromo-2-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is FZPXAZVDJLXENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrCl2N3OS/c21-12-7-8-15(22)14(10-12)19(27)26(11-13-4-1-2-9-24-13)20-25-18-16(23)5-3-6-17(18)28-20/h1-10H,11H2.
What are the key properties of 5-bromo-2-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide?
5-bromo-2-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 493.21 g/mol, XLogP of 6.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 43986492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).