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

C17H12ClN3O4S2 — CID 21007398

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C17H12ClN3O4S2/c18-11-4-5-13-14(9-11)26-17(19-13)20-16(23)10-2-1-3-12(8-10)21-15(22)6-7-27(21,24)25/h1-5,8-9H,6-7H2,(H,19,20,23)
InChIKeyHTXPGGZJNOKEKY-UHFFFAOYSA-N
MW421.89 g/mol
LogP3.27
Rot. Bonds3

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

N-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 21007398) has the molecular formula C17H12ClN3O4S2 and a molecular weight of 421.89 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID21007398
Molecular FormulaC17H12ClN3O4S2
Molecular Weight421.89 g/mol
Exact Mass421.00
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C17H12ClN3O4S2/c18-11-4-5-13-14(9-11)26-17(19-13)20-16(23)10-2-1-3-12(8-10)21-15(22)6-7-27(21,24)25/h1-5,8-9H,6-7H2,(H,19,20,23)
InChIKeyHTXPGGZJNOKEKY-UHFFFAOYSA-N
XLogP3.27
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(3,5-dichlorophenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007403
N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997162
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007177
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997161
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(chloromethyl)benzamide
CID 43156338
3-(2,5-dioxopyrrolidin-1-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 5215287
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9046620
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007406

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 21007398) is N-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(N2C(=O)CCS2(=O)=O)c1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is HTXPGGZJNOKEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O4S2/c18-11-4-5-13-14(9-11)26-17(19-13)20-16(23)10-2-1-3-12(8-10)21-15(22)6-7-27(21,24)25/h1-5,8-9H,6-7H2,(H,19,20,23).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 421.89 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 21007398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).