(4-chloro-3,5-dimethylphenyl) 2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate

C16H16ClN3O3S — CID 55779661

IUPAC(4-chloro-3,5-dimethylphenyl) 2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate
SMILESCc1cc(OC(=O)Cc2csc(N3CCNC3=O)n2)cc(C)c1Cl
InChIInChI=1S/C16H16ClN3O3S/c1-9-5-12(6-10(2)14(9)17)23-13(21)7-11-8-24-16(19-11)20-4-3-18-15(20)22/h5-6,8H,3-4,7H2,1-2H3,(H,18,22)
InChIKeyWWRPMFBFUJRKBL-UHFFFAOYSA-N
MW365.84 g/mol
LogP3.09
Rot. Bonds4

About (4-chloro-3,5-dimethylphenyl) 2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate

(4-chloro-3,5-dimethylphenyl) 2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 55779661) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is (4-chloro-3,5-dimethylphenyl) 2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name(4-chloro-3,5-dimethylphenyl) 2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate
PubChem CID55779661
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC Name(4-chloro-3,5-dimethylphenyl) 2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate
SMILESCc1cc(OC(=O)Cc2csc(N3CCNC3=O)n2)cc(C)c1Cl
InChIInChI=1S/C16H16ClN3O3S/c1-9-5-12(6-10(2)14(9)17)23-13(21)7-11-8-24-16(19-11)20-4-3-18-15(20)22/h5-6,8H,3-4,7H2,1-2H3,(H,18,22)
InChIKeyWWRPMFBFUJRKBL-UHFFFAOYSA-N
XLogP3.09
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-chloro-3,5-dimethylphenyl) 2-[2-(2-oxoimidazolidin-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

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3,5-dimethylphenyl) 2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of (4-chloro-3,5-dimethylphenyl) 2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate (CID 55779661) is (4-chloro-3,5-dimethylphenyl) 2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for (4-chloro-3,5-dimethylphenyl) 2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for (4-chloro-3,5-dimethylphenyl) 2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate is Cc1cc(OC(=O)Cc2csc(N3CCNC3=O)n2)cc(C)c1Cl.
What is the InChIKey of (4-chloro-3,5-dimethylphenyl) 2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is WWRPMFBFUJRKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c1-9-5-12(6-10(2)14(9)17)23-13(21)7-11-8-24-16(19-11)20-4-3-18-15(20)22/h5-6,8H,3-4,7H2,1-2H3,(H,18,22).
What are the key properties of (4-chloro-3,5-dimethylphenyl) 2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate?
(4-chloro-3,5-dimethylphenyl) 2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 365.84 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3,5-dimethylphenyl) 2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 55779661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).