N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,3,4-trifluorophenyl)oxamide

C11H8F3N3O2S — CID 108530808

IUPACN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,3,4-trifluorophenyl)oxamide
SMILESO=C(NC1=NCCS1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H8F3N3O2S/c12-5-1-2-6(8(14)7(5)13)16-9(18)10(19)17-11-15-3-4-20-11/h1-2H,3-4H2,(H,16,18)(H,15,17,19)
InChIKeyYLDWQKRFTSVDCH-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.26
Rot. Bonds1

About N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,3,4-trifluorophenyl)oxamide

N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,3,4-trifluorophenyl)oxamide (PubChem CID 108530808) has the molecular formula C11H8F3N3O2S and a molecular weight of 303.27 g/mol. Its IUPAC name is N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,3,4-trifluorophenyl)oxamide.

Molecular Properties

Compound NameN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,3,4-trifluorophenyl)oxamide
PubChem CID108530808
Molecular FormulaC11H8F3N3O2S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC NameN'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,3,4-trifluorophenyl)oxamide
SMILESO=C(NC1=NCCS1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H8F3N3O2S/c12-5-1-2-6(8(14)7(5)13)16-9(18)10(19)17-11-15-3-4-20-11/h1-2H,3-4H2,(H,16,18)(H,15,17,19)
InChIKeyYLDWQKRFTSVDCH-UHFFFAOYSA-N
XLogP1.26
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108524105
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3,4-trifluorophenyl)acetamide
CID 9454427
N-cyclopropyl-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108530766
N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108514840
1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide
CID 47224066
N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide
CID 108506939
1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
CID 840553
N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108520051
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108529070
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527494
N'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108532495

Frequently Asked Questions

What is the IUPAC name of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,3,4-trifluorophenyl)oxamide?
The IUPAC name of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,3,4-trifluorophenyl)oxamide (CID 108530808) is N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,3,4-trifluorophenyl)oxamide.
What is the SMILES notation for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,3,4-trifluorophenyl)oxamide?
The canonical SMILES for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,3,4-trifluorophenyl)oxamide is O=C(NC1=NCCS1)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,3,4-trifluorophenyl)oxamide?
The InChIKey is YLDWQKRFTSVDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2S/c12-5-1-2-6(8(14)7(5)13)16-9(18)10(19)17-11-15-3-4-20-11/h1-2H,3-4H2,(H,16,18)(H,15,17,19).
What are the key properties of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,3,4-trifluorophenyl)oxamide?
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,3,4-trifluorophenyl)oxamide has a molecular weight of 303.27 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,3,4-trifluorophenyl)oxamide is sourced from PubChem (CID 108530808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).