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

C12H9F2N3O2S — CID 108519396

IUPACN-(2,5-difluorophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
SMILESCc1csc(NC(=O)C(=O)Nc2cc(F)ccc2F)n1
InChIInChI=1S/C12H9F2N3O2S/c1-6-5-20-12(15-6)17-11(19)10(18)16-9-4-7(13)2-3-8(9)14/h2-5H,1H3,(H,16,18)(H,15,17,19)
InChIKeyPIGSGDQBQOMNQO-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.31
Rot. Bonds2

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

N-(2,5-difluorophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide (PubChem CID 108519396) has the molecular formula C12H9F2N3O2S and a molecular weight of 297.29 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
PubChem CID108519396
Molecular FormulaC12H9F2N3O2S
Molecular Weight297.29 g/mol
Exact Mass297.04
IUPAC NameN-(2,5-difluorophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
SMILESCc1csc(NC(=O)C(=O)Nc2cc(F)ccc2F)n1
InChIInChI=1S/C12H9F2N3O2S/c1-6-5-20-12(15-6)17-11(19)10(18)16-9-4-7(13)2-3-8(9)14/h2-5H,1H3,(H,16,18)(H,15,17,19)
InChIKeyPIGSGDQBQOMNQO-UHFFFAOYSA-N
XLogP2.31
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.31
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

N'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide
CID 44998495
N-(2,5-difluorophenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532429
N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
CID 108511873
N-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108524041
5-bromo-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24696228
N'-tert-butyl-N-(2,5-difluorophenyl)oxamide
CID 44998522
N-(6-methyl-2-pyridinyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 108519296
N-(3-hydroxyphenyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 44997307
N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide
CID 108519268
4-[(4-fluoro-2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 145489087
(E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 898821
4-(4-fluorophenyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 24820774

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-(2,5-difluorophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide (CID 108519396) is N-(2,5-difluorophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide is Cc1csc(NC(=O)C(=O)Nc2cc(F)ccc2F)n1.
What is the InChIKey of N-(2,5-difluorophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide?
The InChIKey is PIGSGDQBQOMNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O2S/c1-6-5-20-12(15-6)17-11(19)10(18)16-9-4-7(13)2-3-8(9)14/h2-5H,1H3,(H,16,18)(H,15,17,19).
What are the key properties of N-(2,5-difluorophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide?
N-(2,5-difluorophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide has a molecular weight of 297.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 108519396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).