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

C15H11Cl2N3O3S2 — CID 124938588

IUPACN-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@H]1SC(=O)NC1=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C15H11Cl2N3O3S2/c16-9-2-1-7(4-10(9)17)3-8-6-18-14(24-8)19-12(21)5-11-13(22)20-15(23)25-11/h1-2,4,6,11H,3,5H2,(H,18,19,21)(H,20,22,23)/t11-/m1/s1
InChIKeyYPXCRSQVDYDEDW-LLVKDONJSA-N
MW416.31 g/mol
LogP3.72
Rot. Bonds5

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

N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 124938588) has the molecular formula C15H11Cl2N3O3S2 and a molecular weight of 416.31 g/mol. Its IUPAC name is N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID124938588
Molecular FormulaC15H11Cl2N3O3S2
Molecular Weight416.31 g/mol
Exact Mass414.96
IUPAC NameN-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@H]1SC(=O)NC1=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C15H11Cl2N3O3S2/c16-9-2-1-7(4-10(9)17)3-8-6-18-14(24-8)19-12(21)5-11-13(22)20-15(23)25-11/h1-2,4,6,11H,3,5H2,(H,18,19,21)(H,20,22,23)/t11-/m1/s1
InChIKeyYPXCRSQVDYDEDW-LLVKDONJSA-N
XLogP3.72
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 26011624
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 18827701
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23792381
N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166228141
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 18836200
2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18808515
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166427325
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 25494557
N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-cyclopentylpropanamide
CID 18836271
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 3298328
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide
CID 5025499
(2R)-2-acetamido-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbutanamide
CID 25497837

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide (CID 124938588) is N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide is O=C(C[C@H]1SC(=O)NC1=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is YPXCRSQVDYDEDW-LLVKDONJSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3S2/c16-9-2-1-7(4-10(9)17)3-8-6-18-14(24-8)19-12(21)5-11-13(22)20-15(23)25-11/h1-2,4,6,11H,3,5H2,(H,18,19,21)(H,20,22,23)/t11-/m1/s1.
What are the key properties of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide?
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 416.31 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 124938588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).