4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide

C14H8Cl2N2OS — CID 739315

IUPAC4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl2N2OS/c15-9-3-1-8(2-4-9)13(19)18-14-17-11-6-5-10(16)7-12(11)20-14/h1-7H,(H,17,18,19)
InChIKeyUNADPWLMHDXFRX-UHFFFAOYSA-N
MW323.20 g/mol
LogP4.86
Rot. Bonds2

About 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide

4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 739315) has the molecular formula C14H8Cl2N2OS and a molecular weight of 323.20 g/mol. Its IUPAC name is 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
PubChem CID739315
Molecular FormulaC14H8Cl2N2OS
Molecular Weight323.20 g/mol
Exact Mass321.97
IUPAC Name4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl2N2OS/c15-9-3-1-8(2-4-9)13(19)18-14-17-11-6-5-10(16)7-12(11)20-14/h1-7H,(H,17,18,19)
InChIKeyUNADPWLMHDXFRX-UHFFFAOYSA-N
XLogP4.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)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

3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 43436936
N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107020053
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(1,3-dithiolan-2-yl)benzamide
CID 8582473
6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151620
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(chloromethyl)benzamide
CID 43156338
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 108739147
N-(6-chloro-1,3-benzothiazol-2-yl)-4-hexoxybenzamide
CID 18854021
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)benzamide
CID 2320699

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide (CID 739315) is 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide is O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is UNADPWLMHDXFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2OS/c15-9-3-1-8(2-4-9)13(19)18-14-17-11-6-5-10(16)7-12(11)20-14/h1-7H,(H,17,18,19).
What are the key properties of 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide?
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 323.20 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 739315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).