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

C21H19F2N3O2S — CID 7223013

IUPACN'-(2,4-difluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide
SMILESCc1cccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccc(F)cc3F)s2)c1
InChIInChI=1S/C21H19F2N3O2S/c1-12-4-3-5-14(10-12)21-25-13(2)18(29-21)8-9-24-19(27)20(28)26-17-7-6-15(22)11-16(17)23/h3-7,10-11H,8-9H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyIJNXRFBRJBMVGM-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.00
Rot. Bonds5

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

N'-(2,4-difluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide (PubChem CID 7223013) has the molecular formula C21H19F2N3O2S and a molecular weight of 415.47 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide
PubChem CID7223013
Molecular FormulaC21H19F2N3O2S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC NameN'-(2,4-difluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide
SMILESCc1cccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccc(F)cc3F)s2)c1
InChIInChI=1S/C21H19F2N3O2S/c1-12-4-3-5-14(10-12)21-25-13(2)18(29-21)8-9-24-19(27)20(28)26-17-7-6-15(22)11-16(17)23/h3-7,10-11H,8-9H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyIJNXRFBRJBMVGM-UHFFFAOYSA-N
XLogP4.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.00
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-difluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide (CID 7223013) is N'-(2,4-difluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide is Cc1cccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccc(F)cc3F)s2)c1.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
The InChIKey is IJNXRFBRJBMVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2S/c1-12-4-3-5-14(10-12)21-25-13(2)18(29-21)8-9-24-19(27)20(28)26-17-7-6-15(22)11-16(17)23/h3-7,10-11H,8-9H2,1-2H3,(H,24,27)(H,26,28).
What are the key properties of N'-(2,4-difluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide?
N'-(2,4-difluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide has a molecular weight of 415.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]oxamide is sourced from PubChem (CID 7223013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).