1-(3-bromophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C15H11BrN4O2S — CID 90603521

IUPAC1-(3-bromophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1cnc(NC(=O)C2CC(=O)N(c3cccc(Br)c3)C2)s1
InChIInChI=1S/C15H11BrN4O2S/c16-10-2-1-3-11(5-10)20-8-9(4-13(20)21)14(22)19-15-18-7-12(6-17)23-15/h1-3,5,7,9H,4,8H2,(H,18,19,22)
InChIKeyIVOZBWHLXWOTHI-UHFFFAOYSA-N
MW391.25 g/mol
LogP2.77
Rot. Bonds3

About 1-(3-bromophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

1-(3-bromophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90603521) has the molecular formula C15H11BrN4O2S and a molecular weight of 391.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90603521
Molecular FormulaC15H11BrN4O2S
Molecular Weight391.25 g/mol
Exact Mass389.98
IUPAC Name1-(3-bromophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1cnc(NC(=O)C2CC(=O)N(c3cccc(Br)c3)C2)s1
InChIInChI=1S/C15H11BrN4O2S/c16-10-2-1-3-11(5-10)20-8-9(4-13(20)21)14(22)19-15-18-7-12(6-17)23-15/h1-3,5,7,9H,4,8H2,(H,18,19,22)
InChIKeyIVOZBWHLXWOTHI-UHFFFAOYSA-N
XLogP2.77
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42952988
1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42890520
(3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 52636988
1-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42952985
1-(3-bromophenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42952948
N-(4-acetamidophenyl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578437
N-(4-bromophenyl)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191931
1-(3-bromophenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 42952846
1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 46581777
1-(3-bromophenyl)-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 46581216
1-(3-chlorophenyl)-5-oxo-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 163254891
1-(3-bromophenyl)-N-(3-methyl-5-phenylimidazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 47088838

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 90603521) is 1-(3-bromophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is N#Cc1cnc(NC(=O)C2CC(=O)N(c3cccc(Br)c3)C2)s1.
What is the InChIKey of 1-(3-bromophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IVOZBWHLXWOTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O2S/c16-10-2-1-3-11(5-10)20-8-9(4-13(20)21)14(22)19-15-18-7-12(6-17)23-15/h1-3,5,7,9H,4,8H2,(H,18,19,22).
What are the key properties of 1-(3-bromophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-(3-bromophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 391.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90603521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).