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

C23H25N3O3S — CID 7223031

IUPACN'-(2-methoxy-5-methylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCCc1sc(-c2cccc(C)c2)nc1C
InChIInChI=1S/C23H25N3O3S/c1-14-6-5-7-17(12-14)23-25-16(3)20(30-23)10-11-24-21(27)22(28)26-18-13-15(2)8-9-19(18)29-4/h5-9,12-13H,10-11H2,1-4H3,(H,24,27)(H,26,28)
InChIKeyTVXRTPUCZWTGKG-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.04
Rot. Bonds6

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

N'-(2-methoxy-5-methylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide (PubChem CID 7223031) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N'-(2-methoxy-5-methylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-methoxy-5-methylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide
PubChem CID7223031
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN'-(2-methoxy-5-methylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCCc1sc(-c2cccc(C)c2)nc1C
InChIInChI=1S/C23H25N3O3S/c1-14-6-5-7-17(12-14)23-25-16(3)20(30-23)10-11-24-21(27)22(28)26-18-13-15(2)8-9-19(18)29-4/h5-9,12-13H,10-11H2,1-4H3,(H,24,27)(H,26,28)
InChIKeyTVXRTPUCZWTGKG-UHFFFAOYSA-N
XLogP4.04
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]acetamide
CID 934737
4,5-bis(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 9981363
4,5-bis(4-methoxyphenyl)-2-(N,N-dimethylcarbamoyl)thiazole
CID 10021953
1-[[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methylurea
CID 10022853
2-Acetylaminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 10044540
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide
CID 10050685
N,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 10069331
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide
CID 10364476
[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
CID 10386867
4,5-Bis(4-methoxyphenyl)-2-(3-isopropylureidomethyl)thiazole
CID 10431761
2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24779778
2-(4-methoxy-3-methylphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 70683919

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
The IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide (CID 7223031) is N'-(2-methoxy-5-methylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2-methoxy-5-methylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
The canonical SMILES for N'-(2-methoxy-5-methylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide is COc1ccc(C)cc1NC(=O)C(=O)NCCc1sc(-c2cccc(C)c2)nc1C.
What is the InChIKey of N'-(2-methoxy-5-methylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
The InChIKey is TVXRTPUCZWTGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-14-6-5-7-17(12-14)23-25-16(3)20(30-23)10-11-24-21(27)22(28)26-18-13-15(2)8-9-19(18)29-4/h5-9,12-13H,10-11H2,1-4H3,(H,24,27)(H,26,28).
What are the key properties of N'-(2-methoxy-5-methylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
N'-(2-methoxy-5-methylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide has a molecular weight of 423.54 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-5-methylphenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide is sourced from PubChem (CID 7223031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).