(3,4-dichlorophenyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate

C15H12Cl2N2O3S — CID 27826070

IUPAC(3,4-dichlorophenyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
SMILESO=C(Cc1csc(N2CCCC2=O)n1)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2N2O3S/c16-11-4-3-10(7-12(11)17)22-14(21)6-9-8-23-15(18-9)19-5-1-2-13(19)20/h3-4,7-8H,1-2,5-6H2
InChIKeyCNCAMFSRNATDON-UHFFFAOYSA-N
MW371.25 g/mol
LogP3.72
Rot. Bonds4

About (3,4-dichlorophenyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate

(3,4-dichlorophenyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 27826070) has the molecular formula C15H12Cl2N2O3S and a molecular weight of 371.25 g/mol. Its IUPAC name is (3,4-dichlorophenyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name(3,4-dichlorophenyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
PubChem CID27826070
Molecular FormulaC15H12Cl2N2O3S
Molecular Weight371.25 g/mol
Exact Mass369.99
IUPAC Name(3,4-dichlorophenyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
SMILESO=C(Cc1csc(N2CCCC2=O)n1)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2N2O3S/c16-11-4-3-10(7-12(11)17)22-14(21)6-9-8-23-15(18-9)19-5-1-2-13(19)20/h3-4,7-8H,1-2,5-6H2
InChIKeyCNCAMFSRNATDON-UHFFFAOYSA-N
XLogP3.72
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.25
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (3,4-dichlorophenyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate 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

(2-chloro-4-cyanophenyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 18204125
2-(4-methylphenoxy)ethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667804
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667695
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 18200509
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 35545507
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667870
1-cyanoethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 46609818
N-(2-methyl-4-propan-2-yloxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55887427
(2-anilino-2-oxoethyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667672
[2-(3-methylanilino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667687
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9162811
imidazo[1,2-a]pyridin-2-ylmethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 55403684

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of (3,4-dichlorophenyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate (CID 27826070) is (3,4-dichlorophenyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for (3,4-dichlorophenyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for (3,4-dichlorophenyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate is O=C(Cc1csc(N2CCCC2=O)n1)Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is CNCAMFSRNATDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3S/c16-11-4-3-10(7-12(11)17)22-14(21)6-9-8-23-15(18-9)19-5-1-2-13(19)20/h3-4,7-8H,1-2,5-6H2.
What are the key properties of (3,4-dichlorophenyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?
(3,4-dichlorophenyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 371.25 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 27826070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).