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

C13H15ClN2O2S — CID 17400594

IUPACN-[(3-chlorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NCc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O2S/c14-11-3-1-2-10(8-11)9-15-12(17)4-5-16-6-7-19-13(16)18/h1-3,8H,4-7,9H2,(H,15,17)
InChIKeyHIPQFFRZXJAJHP-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.52
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 17400594) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID17400594
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.79 g/mol
Exact Mass298.05
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NCc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O2S/c14-11-3-1-2-10(8-11)9-15-12(17)4-5-16-6-7-19-13(16)18/h1-3,8H,4-7,9H2,(H,15,17)
InChIKeyHIPQFFRZXJAJHP-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.52
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

3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 18105827
N-(3-chlorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 17487300
N-[[4-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 107232666
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18108119
2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide
CID 55659401
3-bromo-N-[(3-chlorophenyl)methyl]propanamide
CID 82109966
N-(1,3-benzothiazol-2-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18110819
4-chloro-N-[(3-chlorophenyl)methyl]butanamide
CID 17071148
N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 55681416
5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide
CID 9209918
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 56787167
N-[(3-chlorophenyl)methyl]-3-[(3R)-4-methyl-3-phenylpiperazin-1-yl]propanamide
CID 124756335

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 17400594) is N-[(3-chlorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1CCSC1=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is HIPQFFRZXJAJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c14-11-3-1-2-10(8-11)9-15-12(17)4-5-16-6-7-19-13(16)18/h1-3,8H,4-7,9H2,(H,15,17).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[(3-chlorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 298.79 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 17400594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).