N-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C20H19N3O2S — CID 55510158

IUPACN-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCN(C(=O)c1ccc(CN2CCCC2=O)cc1)c1nc2ccccc2s1
InChIInChI=1S/C20H19N3O2S/c1-22(20-21-16-5-2-3-6-17(16)26-20)19(25)15-10-8-14(9-11-15)13-23-12-4-7-18(23)24/h2-3,5-6,8-11H,4,7,12-13H2,1H3
InChIKeyBQZYKIZAWQRFTD-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.70
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 55510158) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID55510158
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCN(C(=O)c1ccc(CN2CCCC2=O)cc1)c1nc2ccccc2s1
InChIInChI=1S/C20H19N3O2S/c1-22(20-21-16-5-2-3-6-17(16)26-20)19(25)15-10-8-14(9-11-15)13-23-12-4-7-18(23)24/h2-3,5-6,8-11H,4,7,12-13H2,1H3
InChIKeyBQZYKIZAWQRFTD-UHFFFAOYSA-N
XLogP3.70
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.70
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-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55380665
N,N-dimethyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94870727
1-[[4-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 17392059
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9469630
N-(1,3-benzothiazol-2-yl)-3-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3469844
N-(1,3-benzothiazol-2-yl)-3-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4158775
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 112799463
N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4279260
N-(1,3-benzothiazol-2-yl)-N-methyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 34250948
N-(1,3-benzothiazol-2-yl)-4-fluoro-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37494431
N-(1,3-benzothiazol-2-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide
CID 4252029

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 55510158) is N-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is CN(C(=O)c1ccc(CN2CCCC2=O)cc1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is BQZYKIZAWQRFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-22(20-21-16-5-2-3-6-17(16)26-20)19(25)15-10-8-14(9-11-15)13-23-12-4-7-18(23)24/h2-3,5-6,8-11H,4,7,12-13H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 365.46 g/mol, XLogP of 3.70, 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)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 55510158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).