3-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide

C15H14BrN3O2S — CID 4621032

IUPAC3-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C1CCCN1CN(C(=O)c1cccc(Br)c1)c1nccs1
InChIInChI=1S/C15H14BrN3O2S/c16-12-4-1-3-11(9-12)14(21)19(15-17-6-8-22-15)10-18-7-2-5-13(18)20/h1,3-4,6,8-9H,2,5,7,10H2
InChIKeyDFHJQELTQVAJKJ-UHFFFAOYSA-N
MW380.27 g/mol
LogP3.13
Rot. Bonds4

About 3-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide

3-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 4621032) has the molecular formula C15H14BrN3O2S and a molecular weight of 380.27 g/mol. Its IUPAC name is 3-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID4621032
Molecular FormulaC15H14BrN3O2S
Molecular Weight380.27 g/mol
Exact Mass379.00
IUPAC Name3-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C1CCCN1CN(C(=O)c1cccc(Br)c1)c1nccs1
InChIInChI=1S/C15H14BrN3O2S/c16-12-4-1-3-11(9-12)14(21)19(15-17-6-8-22-15)10-18-7-2-5-13(18)20/h1,3-4,6,8-9H,2,5,7,10H2
InChIKeyDFHJQELTQVAJKJ-UHFFFAOYSA-N
XLogP3.13
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018803
N-(1,3-benzothiazol-2-yl)-3-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3469844
N-(1,3-benzothiazol-2-yl)-3-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4158775
3-methyl-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3340241
N-(1,3-benzothiazol-2-yl)-4-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4103724
5-bromo-2-chloro-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4301432
1-[(3-bromophenyl)methyl]pyrrolidin-2-one
CID 61414137
3-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3241595
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 97062168
N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4279260
N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9159383
N-[(2-oxopyrrolidin-1-yl)methyl]-N,4-diphenylbenzamide
CID 4682478

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide (CID 4621032) is 3-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide is O=C1CCCN1CN(C(=O)c1cccc(Br)c1)c1nccs1.
What is the InChIKey of 3-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is DFHJQELTQVAJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2S/c16-12-4-1-3-11(9-12)14(21)19(15-17-6-8-22-15)10-18-7-2-5-13(18)20/h1,3-4,6,8-9H,2,5,7,10H2.
What are the key properties of 3-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide?
3-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 380.27 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4621032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).