N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C19H15Cl2N3O2S — CID 4279260

IUPACN-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C1CCCN1CN(C(=O)c1cc(Cl)ccc1Cl)c1nc2ccccc2s1
InChIInChI=1S/C19H15Cl2N3O2S/c20-12-7-8-14(21)13(10-12)18(26)24(11-23-9-3-6-17(23)25)19-22-15-4-1-2-5-16(15)27-19/h1-2,4-5,7-8,10H,3,6,9,11H2
InChIKeyRSJHCEMBWORQBY-UHFFFAOYSA-N
MW420.32 g/mol
LogP4.83
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 4279260) has the molecular formula C19H15Cl2N3O2S and a molecular weight of 420.32 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID4279260
Molecular FormulaC19H15Cl2N3O2S
Molecular Weight420.32 g/mol
Exact Mass419.03
IUPAC NameN-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C1CCCN1CN(C(=O)c1cc(Cl)ccc1Cl)c1nc2ccccc2s1
InChIInChI=1S/C19H15Cl2N3O2S/c20-12-7-8-14(21)13(10-12)18(26)24(11-23-9-3-6-17(23)25)19-22-15-4-1-2-5-16(15)27-19/h1-2,4-5,7-8,10H,3,6,9,11H2
InChIKeyRSJHCEMBWORQBY-UHFFFAOYSA-N
XLogP4.83
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.32
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4103724
N-(1,3-benzothiazol-2-yl)-3-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3469844
N-(1,3-benzothiazol-2-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide
CID 4252029
N-(1,3-benzothiazol-2-yl)-3-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4158775
N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 41004764
N-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55510158
N-(1,3-benzothiazol-2-yl)-2-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 3229424
2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933425
5-chloro-N-(3-chlorophenyl)-2-methoxy-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4582519
2,5-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide
CID 41343915
N-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide
CID 18193284
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55380665

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 4279260) is N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is O=C1CCCN1CN(C(=O)c1cc(Cl)ccc1Cl)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is RSJHCEMBWORQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2S/c20-12-7-8-14(21)13(10-12)18(26)24(11-23-9-3-6-17(23)25)19-22-15-4-1-2-5-16(15)27-19/h1-2,4-5,7-8,10H,3,6,9,11H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 420.32 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 4279260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).