1-(2-bromophenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C19H20BrN3O2S — CID 56532644

IUPAC1-(2-bromophenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2Br)C1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C19H20BrN3O2S/c20-15-5-1-2-6-16(15)23-12-14(10-17(23)24)19(25)22-8-3-4-13(11-22)18-21-7-9-26-18/h1-2,5-7,9,13-14H,3-4,8,10-12H2
InChIKeyHHIKBOOIBZAKHV-UHFFFAOYSA-N
MW434.36 g/mol
LogP3.66
Rot. Bonds3

About 1-(2-bromophenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

1-(2-bromophenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 56532644) has the molecular formula C19H20BrN3O2S and a molecular weight of 434.36 g/mol. Its IUPAC name is 1-(2-bromophenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID56532644
Molecular FormulaC19H20BrN3O2S
Molecular Weight434.36 g/mol
Exact Mass433.05
IUPAC Name1-(2-bromophenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2Br)C1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C19H20BrN3O2S/c20-15-5-1-2-6-16(15)23-12-14(10-17(23)24)19(25)22-8-3-4-13(11-22)18-21-7-9-26-18/h1-2,5-7,9,13-14H,3-4,8,10-12H2
InChIKeyHHIKBOOIBZAKHV-UHFFFAOYSA-N
XLogP3.66
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-butan-2-ylphenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 56579575
(4R)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 95615751
(4S)-4-(azetidine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 95615752
1-(2-bromophenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78851699
1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119395463
(4S)-1-(2-methoxyethyl)-4-[(3S)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95178640
(5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95762094
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95761165
(4S)-4-(5-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 100712614
(2S)-1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119366202
3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 56544865
(2-hydroxycyclopentyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110014632

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(2-bromophenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 56532644) is 1-(2-bromophenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-bromophenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-bromophenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccccc2Br)C1)N1CCCC(c2nccs2)C1.
What is the InChIKey of 1-(2-bromophenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is HHIKBOOIBZAKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2S/c20-15-5-1-2-6-16(15)23-12-14(10-17(23)24)19(25)22-8-3-4-13(11-22)18-21-7-9-26-18/h1-2,5-7,9,13-14H,3-4,8,10-12H2.
What are the key properties of 1-(2-bromophenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
1-(2-bromophenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 434.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 56532644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).