N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]-N'-(1-phenylethyl)oxamide

C23H25N3O2S — CID 18563027

IUPACN-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]-N'-(1-phenylethyl)oxamide
SMILESCc1cccc(-c2nc(C)c(CCNC(=O)C(=O)NC(C)c3ccccc3)s2)c1
InChIInChI=1S/C23H25N3O2S/c1-15-8-7-11-19(14-15)23-26-17(3)20(29-23)12-13-24-21(27)22(28)25-16(2)18-9-5-4-6-10-18/h4-11,14,16H,12-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyXCXZMNTWPKSVDT-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.96
Rot. Bonds6

About N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]-N'-(1-phenylethyl)oxamide

N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]-N'-(1-phenylethyl)oxamide (PubChem CID 18563027) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]-N'-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]-N'-(1-phenylethyl)oxamide
PubChem CID18563027
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]-N'-(1-phenylethyl)oxamide
SMILESCc1cccc(-c2nc(C)c(CCNC(=O)C(=O)NC(C)c3ccccc3)s2)c1
InChIInChI=1S/C23H25N3O2S/c1-15-8-7-11-19(14-15)23-26-17(3)20(29-23)12-13-24-21(27)22(28)25-16(2)18-9-5-4-6-10-18/h4-11,14,16H,12-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyXCXZMNTWPKSVDT-UHFFFAOYSA-N
XLogP3.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide
CID 10433314
(2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide
CID 23646351
N-(2-diethylaminoethyl)-2,4-diphenyl-thiazole-5-carboxamide
CID 54583639
2-[4-(2-Benzyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5o)
CID 73443010
3-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide
CID 4573285
N-{2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}benzamide
CID 7207718
N1-(2,5-dimethylphenyl)-N2-(2-(2-(3-fluorophenyl)thiazol-4-yl)ethyl)oxalamide
CID 7216690
3-methyl-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 7222744
N'-(2,6-Dimethylphenyl)-N-{2-[2-(4-methylphenyl)-1,3-thiazol-4-YL]ethyl}ethanediamide
CID 7287552
2-(4-fluorophenyl)-N-{2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}acetamide
CID 7518163
5-({[(Cyclohexylamino)carbonyl]oxy}ethanimidoyl)-4-methyl-2-phenyl-1,3-thiazole
CID 9581915
5-({[(Isopropylamino)carbonyl]oxy}ethanimidoyl)-4-methyl-2-phenyl-1,3-thiazole
CID 9581920

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]-N'-(1-phenylethyl)oxamide?
The IUPAC name of N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]-N'-(1-phenylethyl)oxamide (CID 18563027) is N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]-N'-(1-phenylethyl)oxamide.
What is the SMILES notation for N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]-N'-(1-phenylethyl)oxamide?
The canonical SMILES for N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]-N'-(1-phenylethyl)oxamide is Cc1cccc(-c2nc(C)c(CCNC(=O)C(=O)NC(C)c3ccccc3)s2)c1.
What is the InChIKey of N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]-N'-(1-phenylethyl)oxamide?
The InChIKey is XCXZMNTWPKSVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-15-8-7-11-19(14-15)23-26-17(3)20(29-23)12-13-24-21(27)22(28)25-16(2)18-9-5-4-6-10-18/h4-11,14,16H,12-13H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]-N'-(1-phenylethyl)oxamide?
N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]-N'-(1-phenylethyl)oxamide has a molecular weight of 407.54 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]-N'-(1-phenylethyl)oxamide is sourced from PubChem (CID 18563027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).