N-(3-chloro-4-cyanophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C12H10ClN3O2S — CID 31512699

IUPACN-(3-chloro-4-cyanophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2CSCC2=O)cc1Cl
InChIInChI=1S/C12H10ClN3O2S/c13-10-3-9(2-1-8(10)4-14)15-11(17)5-16-7-19-6-12(16)18/h1-3H,5-7H2,(H,15,17)
InChIKeyQIVNNBXOAZSFRV-UHFFFAOYSA-N
MW295.75 g/mol
LogP1.68
Rot. Bonds3

About N-(3-chloro-4-cyanophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-(3-chloro-4-cyanophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 31512699) has the molecular formula C12H10ClN3O2S and a molecular weight of 295.75 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID31512699
Molecular FormulaC12H10ClN3O2S
Molecular Weight295.75 g/mol
Exact Mass295.02
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2CSCC2=O)cc1Cl
InChIInChI=1S/C12H10ClN3O2S/c13-10-3-9(2-1-8(10)4-14)15-11(17)5-16-7-19-6-12(16)18/h1-3H,5-7H2,(H,15,17)
InChIKeyQIVNNBXOAZSFRV-UHFFFAOYSA-N
XLogP1.68
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8762067
N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9095755
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 2117238
3,5-dichloro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
CID 82811304
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 26288888
2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
CID 103791471
N-(3,4-dimethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 26364730
N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62372959
N-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 3912719
N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60966755
1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2514707
N-(3-chloro-4-cyanophenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9445827

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 31512699) is N-(3-chloro-4-cyanophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is N#Cc1ccc(NC(=O)CN2CSCC2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is QIVNNBXOAZSFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S/c13-10-3-9(2-1-8(10)4-14)15-11(17)5-16-7-19-6-12(16)18/h1-3H,5-7H2,(H,15,17).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 295.75 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 31512699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).