N-[2-(4-chlorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide

C13H12ClN3O2S — CID 2883503

IUPACN-[2-(4-chlorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C(=O)Nc1nccs1
InChIInChI=1S/C13H12ClN3O2S/c14-10-3-1-9(2-4-10)5-6-15-11(18)12(19)17-13-16-7-8-20-13/h1-4,7-8H,5-6H2,(H,15,18)(H,16,17,19)
InChIKeyZJWHSPDZFDARFO-UHFFFAOYSA-N
MW309.78 g/mol
LogP2.09
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide

N-[2-(4-chlorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide (PubChem CID 2883503) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
PubChem CID2883503
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C(=O)Nc1nccs1
InChIInChI=1S/C13H12ClN3O2S/c14-10-3-1-9(2-4-10)5-6-15-11(18)12(19)17-13-16-7-8-20-13/h1-4,7-8H,5-6H2,(H,15,18)(H,16,17,19)
InChIKeyZJWHSPDZFDARFO-UHFFFAOYSA-N
XLogP2.09
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide (CID 2883503) is N-[2-(4-chlorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide is O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1nccs1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide?
The InChIKey is ZJWHSPDZFDARFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c14-10-3-1-9(2-4-10)5-6-15-11(18)12(19)17-13-16-7-8-20-13/h1-4,7-8H,5-6H2,(H,15,18)(H,16,17,19).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide?
N-[2-(4-chlorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide has a molecular weight of 309.78 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 2883503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).