1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C19H21BrN4O2S — CID 71780411

IUPAC1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1nnc(C2CCN(C(=O)C3CC(=O)N(c4cccc(Br)c4)C3)CC2)s1
InChIInChI=1S/C19H21BrN4O2S/c1-12-21-22-18(27-12)13-5-7-23(8-6-13)19(26)14-9-17(25)24(11-14)16-4-2-3-15(20)10-16/h2-4,10,13-14H,5-9,11H2,1H3
InChIKeyIUZUBKAYFKJDKP-UHFFFAOYSA-N
MW449.37 g/mol
LogP3.37
Rot. Bonds3

About 1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 71780411) has the molecular formula C19H21BrN4O2S and a molecular weight of 449.37 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID71780411
Molecular FormulaC19H21BrN4O2S
Molecular Weight449.37 g/mol
Exact Mass448.06
IUPAC Name1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1nnc(C2CCN(C(=O)C3CC(=O)N(c4cccc(Br)c4)C3)CC2)s1
InChIInChI=1S/C19H21BrN4O2S/c1-12-21-22-18(27-12)13-5-7-23(8-6-13)19(26)14-9-17(25)24(11-14)16-4-2-3-15(20)10-16/h2-4,10,13-14H,5-9,11H2,1H3
InChIKeyIUZUBKAYFKJDKP-UHFFFAOYSA-N
XLogP3.37
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 71780419
1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
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1-(3-bromophenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
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1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 55575787
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1-[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602043
1-(3-bromophenyl)-4-[3-(4-chlorophenyl)azepane-1-carbonyl]pyrrolidin-2-one
CID 121146435
1-(3-bromophenyl)-4-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 71780411) is 1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is Cc1nnc(C2CCN(C(=O)C3CC(=O)N(c4cccc(Br)c4)C3)CC2)s1.
What is the InChIKey of 1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is IUZUBKAYFKJDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O2S/c1-12-21-22-18(27-12)13-5-7-23(8-6-13)19(26)14-9-17(25)24(11-14)16-4-2-3-15(20)10-16/h2-4,10,13-14H,5-9,11H2,1H3.
What are the key properties of 1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 449.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 71780411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).