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

C18H13Cl2N3O2S — CID 9046620

IUPAC4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C18H13Cl2N3O2S/c19-11-4-6-13-15(9-11)26-18(21-13)22-17(25)10-3-5-12(20)14(8-10)23-7-1-2-16(23)24/h3-6,8-9H,1-2,7H2,(H,21,22,25)
InChIKeyJWQPLXGAQWNPSZ-UHFFFAOYSA-N
MW406.29 g/mol
LogP4.98
Rot. Bonds3

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

4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9046620) has the molecular formula C18H13Cl2N3O2S and a molecular weight of 406.29 g/mol. Its IUPAC name is 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9046620
Molecular FormulaC18H13Cl2N3O2S
Molecular Weight406.29 g/mol
Exact Mass405.01
IUPAC Name4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C18H13Cl2N3O2S/c19-11-4-6-13-15(9-11)26-18(21-13)22-17(25)10-3-5-12(20)14(8-10)23-7-1-2-16(23)24/h3-6,8-9H,1-2,7H2,(H,21,22,25)
InChIKeyJWQPLXGAQWNPSZ-UHFFFAOYSA-N
XLogP4.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8927459
4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 35853287
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 16564145
methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 18103779
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 43436936
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9068775
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18200259
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042083
4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-ylbenzamide
CID 110162762
4-chloro-N-(4-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042234

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide (CID 9046620) is 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Cl)c(N2CCCC2=O)c1.
What is the InChIKey of 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is JWQPLXGAQWNPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2S/c19-11-4-6-13-15(9-11)26-18(21-13)22-17(25)10-3-5-12(20)14(8-10)23-7-1-2-16(23)24/h3-6,8-9H,1-2,7H2,(H,21,22,25).
What are the key properties of 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 406.29 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9046620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).