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

C19H16ClN3O2S — CID 3469844

IUPACN-(1,3-benzothiazol-2-yl)-3-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C1CCCN1CN(C(=O)c1cccc(Cl)c1)c1nc2ccccc2s1
InChIInChI=1S/C19H16ClN3O2S/c20-14-6-3-5-13(11-14)18(25)23(12-22-10-4-9-17(22)24)19-21-15-7-1-2-8-16(15)26-19/h1-3,5-8,11H,4,9-10,12H2
InChIKeyKIRYGMCZWJLLCB-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.18
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-3-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 3469844) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID3469844
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C1CCCN1CN(C(=O)c1cccc(Cl)c1)c1nc2ccccc2s1
InChIInChI=1S/C19H16ClN3O2S/c20-14-6-3-5-13(11-14)18(25)23(12-22-10-4-9-17(22)24)19-21-15-7-1-2-8-16(15)26-19/h1-3,5-8,11H,4,9-10,12H2
InChIKeyKIRYGMCZWJLLCB-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)-4-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4103724
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-[(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
N-(1,3-benzothiazol-2-yl)-3-chloro-N-[3-(dimethylamino)propyl]benzamide
CID 7577445
N-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55510158
N-(1,3-benzothiazol-2-yl)-3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7622230
3-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 4621032
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CID 55380665
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-(2,5-dioxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41004770
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 3469844) is N-(1,3-benzothiazol-2-yl)-3-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is O=C1CCCN1CN(C(=O)c1cccc(Cl)c1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is KIRYGMCZWJLLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c20-14-6-3-5-13(11-14)18(25)23(12-22-10-4-9-17(22)24)19-21-15-7-1-2-8-16(15)26-19/h1-3,5-8,11H,4,9-10,12H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(1,3-benzothiazol-2-yl)-3-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)-3-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 3469844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).