N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide

C22H22ClN3O2S — CID 20965754

IUPACN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c(C)c1
InChIInChI=1S/C22H22ClN3O2S/c1-13-10-14(2)19(15(3)11-13)26-21(28)20(27)24-9-8-18-12-29-22(25-18)16-4-6-17(23)7-5-16/h4-7,10-12H,8-9H2,1-3H3,(H,24,27)(H,26,28)
InChIKeyWRDFUROWLPGPCU-UHFFFAOYSA-N
MW427.96 g/mol
LogP4.69
Rot. Bonds5

About N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide (PubChem CID 20965754) has the molecular formula C22H22ClN3O2S and a molecular weight of 427.96 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
PubChem CID20965754
Molecular FormulaC22H22ClN3O2S
Molecular Weight427.96 g/mol
Exact Mass427.11
IUPAC NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c(C)c1
InChIInChI=1S/C22H22ClN3O2S/c1-13-10-14(2)19(15(3)11-13)26-21(28)20(27)24-9-8-18-12-29-22(25-18)16-4-6-17(23)7-5-16/h4-7,10-12H,8-9H2,1-3H3,(H,24,27)(H,26,28)
InChIKeyWRDFUROWLPGPCU-UHFFFAOYSA-N
XLogP4.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.96
LogP ≤ 54.69
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-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide (CID 20965754) is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c(C)c1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is WRDFUROWLPGPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2S/c1-13-10-14(2)19(15(3)11-13)26-21(28)20(27)24-9-8-18-12-29-22(25-18)16-4-6-17(23)7-5-16/h4-7,10-12H,8-9H2,1-3H3,(H,24,27)(H,26,28).
What are the key properties of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide?
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 427.96 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 20965754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).