1-(1,3-benzothiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one

C20H18N4O2S — CID 155497755

IUPAC1-(1,3-benzothiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2nc3ccccc3s2)C1)N1CC(c2ccncc2)C1
InChIInChI=1S/C20H18N4O2S/c25-18-9-14(12-24(18)20-22-16-3-1-2-4-17(16)27-20)19(26)23-10-15(11-23)13-5-7-21-8-6-13/h1-8,14-15H,9-12H2
InChIKeyOGZLTQZKYLWCLT-UHFFFAOYSA-N
MW378.46 g/mol
LogP2.67
Rot. Bonds3

About 1-(1,3-benzothiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one

1-(1,3-benzothiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 155497755) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
PubChem CID155497755
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name1-(1,3-benzothiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2nc3ccccc3s2)C1)N1CC(c2ccncc2)C1
InChIInChI=1S/C20H18N4O2S/c25-18-9-14(12-24(18)20-22-16-3-1-2-4-17(16)27-20)19(26)23-10-15(11-23)13-5-7-21-8-6-13/h1-8,14-15H,9-12H2
InChIKeyOGZLTQZKYLWCLT-UHFFFAOYSA-N
XLogP2.67
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3aR,5R,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-1-(1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 154822246
(3S)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94077557
(3R)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94077556
1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 155494686
1-(1,3-benzothiazol-2-yl)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one
CID 154820263
1-(1,3-benzothiazol-2-yl)-N-[1-(methoxymethyl)cyclopentyl]-5-oxopyrrolidine-3-carboxamide
CID 155508924
1-(1,3-benzothiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168710737
1-(1,3-benzothiazol-2-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 155502490
(4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 95719078
1-(6-hydroxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692377
(4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 95710712
1-(1,3-benzothiazol-2-yl)-5-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 155508099

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one (CID 155497755) is 1-(1,3-benzothiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one is O=C(C1CC(=O)N(c2nc3ccccc3s2)C1)N1CC(c2ccncc2)C1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is OGZLTQZKYLWCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c25-18-9-14(12-24(18)20-22-16-3-1-2-4-17(16)27-20)19(26)23-10-15(11-23)13-5-7-21-8-6-13/h1-8,14-15H,9-12H2.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one?
1-(1,3-benzothiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 378.46 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 155497755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).