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

C15H15F2N3O2S — CID 56803018

IUPACN'-(2,4-difluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide
SMILESCC(C)c1nc(CNC(=O)C(=O)Nc2ccc(F)cc2F)cs1
InChIInChI=1S/C15H15F2N3O2S/c1-8(2)15-19-10(7-23-15)6-18-13(21)14(22)20-12-4-3-9(16)5-11(12)17/h3-5,7-8H,6H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyMHTKNEUYNSAZMB-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.80
Rot. Bonds4

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

N'-(2,4-difluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide (PubChem CID 56803018) has the molecular formula C15H15F2N3O2S and a molecular weight of 339.37 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide
PubChem CID56803018
Molecular FormulaC15H15F2N3O2S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC NameN'-(2,4-difluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide
SMILESCC(C)c1nc(CNC(=O)C(=O)Nc2ccc(F)cc2F)cs1
InChIInChI=1S/C15H15F2N3O2S/c1-8(2)15-19-10(7-23-15)6-18-13(21)14(22)20-12-4-3-9(16)5-11(12)17/h3-5,7-8H,6H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyMHTKNEUYNSAZMB-UHFFFAOYSA-N
XLogP2.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.80
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-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide (CID 56803018) is N'-(2,4-difluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide is CC(C)c1nc(CNC(=O)C(=O)Nc2ccc(F)cc2F)cs1.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide?
The InChIKey is MHTKNEUYNSAZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2S/c1-8(2)15-19-10(7-23-15)6-18-13(21)14(22)20-12-4-3-9(16)5-11(12)17/h3-5,7-8H,6H2,1-2H3,(H,18,21)(H,20,22).
What are the key properties of N'-(2,4-difluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide?
N'-(2,4-difluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide has a molecular weight of 339.37 g/mol, XLogP of 2.80, 4 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-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide is sourced from PubChem (CID 56803018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).