N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-phenyloxamide

C20H18ClN3O2S — CID 7216485

IUPACN-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-phenyloxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C20H18ClN3O2S/c1-13-17(27-20(23-13)14-7-9-15(21)10-8-14)11-12-22-18(25)19(26)24-16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,22,25)(H,24,26)
InChIKeyIVGPQFARXWDLRT-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.07
Rot. Bonds5

About N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-phenyloxamide

N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-phenyloxamide (PubChem CID 7216485) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-phenyloxamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-phenyloxamide
PubChem CID7216485
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC NameN-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-phenyloxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C20H18ClN3O2S/c1-13-17(27-20(23-13)14-7-9-15(21)10-8-14)11-12-22-18(25)19(26)24-16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,22,25)(H,24,26)
InChIKeyIVGPQFARXWDLRT-UHFFFAOYSA-N
XLogP4.07
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.07
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)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-phenyloxamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-phenyloxamide (CID 7216485) is N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-phenyloxamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-phenyloxamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-phenyloxamide is Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C(=O)Nc1ccccc1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-phenyloxamide?
The InChIKey is IVGPQFARXWDLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-13-17(27-20(23-13)14-7-9-15(21)10-8-14)11-12-22-18(25)19(26)24-16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,22,25)(H,24,26).
What are the key properties of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-phenyloxamide?
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-phenyloxamide has a molecular weight of 399.90 g/mol, XLogP of 4.07, 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)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-phenyloxamide is sourced from PubChem (CID 7216485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).