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

C12H13ClN2O2S — CID 17487300

IUPACN-(3-chlorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O2S/c13-9-2-1-3-10(8-9)14-11(16)4-5-15-6-7-18-12(15)17/h1-3,8H,4-7H2,(H,14,16)
InChIKeyILZQYOYUQZDMCT-UHFFFAOYSA-N
MW284.77 g/mol
LogP2.84
Rot. Bonds4

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

N-(3-chlorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 17487300) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID17487300
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC NameN-(3-chlorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O2S/c13-9-2-1-3-10(8-9)14-11(16)4-5-15-6-7-18-12(15)17/h1-3,8H,4-7H2,(H,14,16)
InChIKeyILZQYOYUQZDMCT-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 9245152
N-[(3-chlorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 17400594
N-[3-[(2-amino-2-oxoethyl)carbamoylamino]phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 122149972
1-(3-chlorophenyl)-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]thiourea
CID 9088038
N-[4-(hydroxymethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 64795223
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
N-(4-nitrophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 47120394
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
N-(3-chlorophenyl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
CID 6463205
N-(3-chlorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014570
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
N-[4-(dimethylsulfamoyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093524

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 17487300) is N-(3-chlorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1CCSC1=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is ILZQYOYUQZDMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c13-9-2-1-3-10(8-9)14-11(16)4-5-15-6-7-18-12(15)17/h1-3,8H,4-7H2,(H,14,16).
What are the key properties of N-(3-chlorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(3-chlorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 284.77 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 17487300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).