2-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide

C15H12ClN3O3S2 — CID 3717231

IUPAC2-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1SC(=O)N(Cc2ccc(Cl)cc2)C1=O)Nc1nccs1
InChIInChI=1S/C15H12ClN3O3S2/c16-10-3-1-9(2-4-10)8-19-13(21)11(24-15(19)22)7-12(20)18-14-17-5-6-23-14/h1-6,11H,7-8H2,(H,17,18,20)
InChIKeyOOOYRTXVWXVAND-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.39
Rot. Bonds5

About 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3717231) has the molecular formula C15H12ClN3O3S2 and a molecular weight of 381.87 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3717231
Molecular FormulaC15H12ClN3O3S2
Molecular Weight381.87 g/mol
Exact Mass381.00
IUPAC Name2-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1SC(=O)N(Cc2ccc(Cl)cc2)C1=O)Nc1nccs1
InChIInChI=1S/C15H12ClN3O3S2/c16-10-3-1-9(2-4-10)8-19-13(21)11(24-15(19)22)7-12(20)18-14-17-5-6-23-14/h1-6,11H,7-8H2,(H,17,18,20)
InChIKeyOOOYRTXVWXVAND-UHFFFAOYSA-N
XLogP3.39
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide
CID 4307629
(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 854189
2-(2,6-Dichlorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 3024635
N-[(4-chlorophenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 1973551
(E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 692477
4-Thiazolidinone, 2-(2-chloro-6-fluorophenyl)-3-(2-thiazolyl)-
CID 339225
Acetamide, 2-(4-chlorobenzylsulfanyl)-N-thiazol-2-yl-
CID 709144
1-(3-chloro-2-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 3127670
N-(Benzylcarbamoyl-methyl)-N'-thiazol-2-yl-N-thiophen-2-ylmethyl-succinamide
CID 3205311
3-(4-chlorophenyl)-2-(1,3-thiazol-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3242175
2-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 3827607
(2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 156011611

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 3717231) is 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CC1SC(=O)N(Cc2ccc(Cl)cc2)C1=O)Nc1nccs1.
What is the InChIKey of 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is OOOYRTXVWXVAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S2/c16-10-3-1-9(2-4-10)8-19-13(21)11(24-15(19)22)7-12(20)18-14-17-5-6-23-14/h1-6,11H,7-8H2,(H,17,18,20).
What are the key properties of 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 381.87 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3717231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).