1-(2,5-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-2-oxopyrrolidine-3-carboxamide

C15H13Cl2N3O2S — CID 102555761

IUPAC1-(2,5-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-2-oxopyrrolidine-3-carboxamide
SMILESCn1ccs/c1=N\C(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C15H13Cl2N3O2S/c1-19-6-7-23-15(19)18-13(21)10-4-5-20(14(10)22)12-8-9(16)2-3-11(12)17/h2-3,6-8,10H,4-5H2,1H3/b18-15-
InChIKeyYZDYPTSRKLXBIV-SDXDJHTJSA-N
MW370.26 g/mol
LogP2.87
Rot. Bonds2

About 1-(2,5-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-2-oxopyrrolidine-3-carboxamide

1-(2,5-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-2-oxopyrrolidine-3-carboxamide (PubChem CID 102555761) has the molecular formula C15H13Cl2N3O2S and a molecular weight of 370.26 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-2-oxopyrrolidine-3-carboxamide
PubChem CID102555761
Molecular FormulaC15H13Cl2N3O2S
Molecular Weight370.26 g/mol
Exact Mass369.01
IUPAC Name1-(2,5-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-2-oxopyrrolidine-3-carboxamide
SMILESCn1ccs/c1=N\C(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C15H13Cl2N3O2S/c1-19-6-7-23-15(19)18-13(21)10-4-5-20(14(10)22)12-8-9(16)2-3-11(12)17/h2-3,6-8,10H,4-5H2,1H3/b18-15-
InChIKeyYZDYPTSRKLXBIV-SDXDJHTJSA-N
XLogP2.87
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-2-oxopyrrolidine-3-carboxamide (CID 102555761) is 1-(2,5-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-2-oxopyrrolidine-3-carboxamide is Cn1ccs/c1=N\C(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is YZDYPTSRKLXBIV-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2S/c1-19-6-7-23-15(19)18-13(21)10-4-5-20(14(10)22)12-8-9(16)2-3-11(12)17/h2-3,6-8,10H,4-5H2,1H3/b18-15-.
What are the key properties of 1-(2,5-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-2-oxopyrrolidine-3-carboxamide?
1-(2,5-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 370.26 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 102555761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).