1-(1,3-benzothiazol-2-yl)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one

C20H18N4O2S — CID 154820263

IUPAC1-(1,3-benzothiazol-2-yl)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2nc3ccccc3s2)C1)N1CCc2ncccc2C1
InChIInChI=1S/C20H18N4O2S/c25-18-10-14(12-24(18)20-22-16-5-1-2-6-17(16)27-20)19(26)23-9-7-15-13(11-23)4-3-8-21-15/h1-6,8,14H,7,9-12H2
InChIKeyCJGZSBXOSMHILM-UHFFFAOYSA-N
MW378.46 g/mol
LogP2.63
Rot. Bonds2

About 1-(1,3-benzothiazol-2-yl)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one

1-(1,3-benzothiazol-2-yl)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one (PubChem CID 154820263) 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-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one
PubChem CID154820263
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name1-(1,3-benzothiazol-2-yl)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2nc3ccccc3s2)C1)N1CCc2ncccc2C1
InChIInChI=1S/C20H18N4O2S/c25-18-10-14(12-24(18)20-22-16-5-1-2-6-17(16)27-20)19(26)23-9-7-15-13(11-23)4-3-8-21-15/h1-6,8,14H,7,9-12H2
InChIKeyCJGZSBXOSMHILM-UHFFFAOYSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 52.63
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
1-(1,3-benzothiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 155497755
(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
(4S)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97275458
1-(6-methyl-1,3-benzothiazol-2-yl)-4-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)pyrrolidin-2-one
CID 155502697
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
CID 154564256
1-pentan-3-yl-4-(5,7,8,9-tetrahydropyrido[3,2-c]azepine-6-carbonyl)pyrrolidin-2-one
CID 167882607
1-(1,3-benzothiazol-2-yl)-5-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 155508099
4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121190934
1-(1,3-benzothiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168710737
(4S)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 42497316

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one (CID 154820263) is 1-(1,3-benzothiazol-2-yl)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one is O=C(C1CC(=O)N(c2nc3ccccc3s2)C1)N1CCc2ncccc2C1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one?
The InChIKey is CJGZSBXOSMHILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c25-18-10-14(12-24(18)20-22-16-5-1-2-6-17(16)27-20)19(26)23-9-7-15-13(11-23)4-3-8-21-15/h1-6,8,14H,7,9-12H2.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one?
1-(1,3-benzothiazol-2-yl)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one has a molecular weight of 378.46 g/mol, XLogP of 2.63, 2 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-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 154820263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).