N-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C13H13N3O2S — CID 9245152

IUPACN-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESN#Cc1cccc(NC(=O)CCN2CCSC2=O)c1
InChIInChI=1S/C13H13N3O2S/c14-9-10-2-1-3-11(8-10)15-12(17)4-5-16-6-7-19-13(16)18/h1-3,8H,4-7H2,(H,15,17)
InChIKeyQGJWHCWIKDJRTM-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.06
Rot. Bonds4

About N-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 9245152) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID9245152
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESN#Cc1cccc(NC(=O)CCN2CCSC2=O)c1
InChIInChI=1S/C13H13N3O2S/c14-9-10-2-1-3-11(8-10)15-12(17)4-5-16-6-7-19-13(16)18/h1-3,8H,4-7H2,(H,15,17)
InChIKeyQGJWHCWIKDJRTM-UHFFFAOYSA-N
XLogP2.06
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
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N-[3-[(2-amino-2-oxoethyl)carbamoylamino]phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 122149972
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 17423799
N-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 8591940
N-(3-cyanophenyl)-3-(2,3-dimethylthiomorpholin-4-yl)propanamide
CID 115666843
N-(3,5-difluorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18102547
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
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N-[4-(hydroxymethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 64795223
N-(4-nitrophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 47120394
3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
N-(3-cyanophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 28745017

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 9245152) is N-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is N#Cc1cccc(NC(=O)CCN2CCSC2=O)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is QGJWHCWIKDJRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c14-9-10-2-1-3-11(8-10)15-12(17)4-5-16-6-7-19-13(16)18/h1-3,8H,4-7H2,(H,15,17).
What are the key properties of N-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 275.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 9245152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).