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

C19H16ClN3O2S — CID 4103724

IUPACN-(1,3-benzothiazol-2-yl)-4-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C1CCCN1CN(C(=O)c1ccc(Cl)cc1)c1nc2ccccc2s1
InChIInChI=1S/C19H16ClN3O2S/c20-14-9-7-13(8-10-14)18(25)23(12-22-11-3-6-17(22)24)19-21-15-4-1-2-5-16(15)26-19/h1-2,4-5,7-10H,3,6,11-12H2
InChIKeyAIKVYKDWRUWBED-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.18
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-4-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 4103724) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID4103724
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C1CCCN1CN(C(=O)c1ccc(Cl)cc1)c1nc2ccccc2s1
InChIInChI=1S/C19H16ClN3O2S/c20-14-9-7-13(8-10-14)18(25)23(12-22-11-3-6-17(22)24)19-21-15-4-1-2-5-16(15)26-19/h1-2,4-5,7-10H,3,6,11-12H2
InChIKeyAIKVYKDWRUWBED-UHFFFAOYSA-N
XLogP4.18
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.18
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)-2,5-dichloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4279260
N-(1,3-benzothiazol-2-yl)-3-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4158775
N-(1,3-benzothiazol-2-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide
CID 4252029
N-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55510158
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)-4-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 6487734
N-(1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzamide
CID 16548881
N-(1,3-benzothiazol-2-yl)-N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 34189725
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide;hydrochloride
CID 44929496
N-[(2-oxopyrrolidin-1-yl)methyl]-N,4-diphenylbenzamide
CID 4682478
N-(1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 4103724) is N-(1,3-benzothiazol-2-yl)-4-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is O=C1CCCN1CN(C(=O)c1ccc(Cl)cc1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is AIKVYKDWRUWBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c20-14-9-7-13(8-10-14)18(25)23(12-22-11-3-6-17(22)24)19-21-15-4-1-2-5-16(15)26-19/h1-2,4-5,7-10H,3,6,11-12H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(1,3-benzothiazol-2-yl)-4-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 385.88 g/mol, XLogP of 4.18, 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)-4-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 4103724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).