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

C20H19N3O2S — CID 4158775

IUPACN-(1,3-benzothiazol-2-yl)-3-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1cccc(C(=O)N(CN2CCCC2=O)c2nc3ccccc3s2)c1
InChIInChI=1S/C20H19N3O2S/c1-14-6-4-7-15(12-14)19(25)23(13-22-11-5-10-18(22)24)20-21-16-8-2-3-9-17(16)26-20/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKeyYYWRTZHRQZFXMO-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.83
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-3-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 4158775) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID4158775
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1cccc(C(=O)N(CN2CCCC2=O)c2nc3ccccc3s2)c1
InChIInChI=1S/C20H19N3O2S/c1-14-6-4-7-15(12-14)19(25)23(13-22-11-5-10-18(22)24)20-21-16-8-2-3-9-17(16)26-20/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKeyYYWRTZHRQZFXMO-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3469844
N-(1,3-benzothiazol-2-yl)-4-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4103724
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-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide
CID 4252029
3-methyl-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3340241
N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622225
N-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55510158
N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7622224
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9469630
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55380665
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide
CID 34189654
N-[3-(dimethylamino)propyl]-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 16798992

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 4158775) is N-(1,3-benzothiazol-2-yl)-3-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is Cc1cccc(C(=O)N(CN2CCCC2=O)c2nc3ccccc3s2)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is YYWRTZHRQZFXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14-6-4-7-15(12-14)19(25)23(13-22-11-5-10-18(22)24)20-21-16-8-2-3-9-17(16)26-20/h2-4,6-9,12H,5,10-11,13H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(1,3-benzothiazol-2-yl)-3-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 365.46 g/mol, XLogP of 3.83, 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)-3-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 4158775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).