N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C19H17N3O3S — CID 2950559

IUPACN-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3nc4ccccc4s3)CC2=O)cc1
InChIInChI=1S/C19H17N3O3S/c1-25-14-8-6-13(7-9-14)22-11-12(10-17(22)23)18(24)21-19-20-15-4-2-3-5-16(15)26-19/h2-9,12H,10-11H2,1H3,(H,20,21,24)
InChIKeyYCZDKZABCVWYBQ-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.30
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2950559) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2950559
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3nc4ccccc4s3)CC2=O)cc1
InChIInChI=1S/C19H17N3O3S/c1-25-14-8-6-13(7-9-14)22-11-12(10-17(22)23)18(24)21-19-20-15-4-2-3-5-16(15)26-19/h2-9,12H,10-11H2,1H3,(H,20,21,24)
InChIKeyYCZDKZABCVWYBQ-UHFFFAOYSA-N
XLogP3.30
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 8895574
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CID 220926
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CID 121488186
2-Propenamide, 2-cyano-N-(6-methoxy-2-benzothiazolyl)-3-phenyl-
CID 5469111
Butanamide, N-(6-ethoxy-2-benzothiazolyl)-3-oxo-
CID 96209
N-(6-methoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032473
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2950559) is N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nc3nc4ccccc4s3)CC2=O)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YCZDKZABCVWYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-25-14-8-6-13(7-9-14)22-11-12(10-17(22)23)18(24)21-19-20-15-4-2-3-5-16(15)26-19/h2-9,12H,10-11H2,1H3,(H,20,21,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2950559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).