N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide

C14H12F3N3O2S — CID 108501440

IUPACN'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESCc1nc(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)sc1C
InChIInChI=1S/C14H12F3N3O2S/c1-7-8(2)23-13(18-7)20-12(22)11(21)19-10-5-3-4-9(6-10)14(15,16)17/h3-6H,1-2H3,(H,19,21)(H,18,20,22)
InChIKeyAZDLWIJGBVVGTE-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.36
Rot. Bonds2

About N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide

N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 108501440) has the molecular formula C14H12F3N3O2S and a molecular weight of 343.33 g/mol. Its IUPAC name is N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID108501440
Molecular FormulaC14H12F3N3O2S
Molecular Weight343.33 g/mol
Exact Mass343.06
IUPAC NameN'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESCc1nc(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)sc1C
InChIInChI=1S/C14H12F3N3O2S/c1-7-8(2)23-13(18-7)20-12(22)11(21)19-10-5-3-4-9(6-10)14(15,16)17/h3-6H,1-2H3,(H,19,21)(H,18,20,22)
InChIKeyAZDLWIJGBVVGTE-UHFFFAOYSA-N
XLogP3.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.36
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

2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 100773164
N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 108501381
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553
2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30142300
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61466520
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 10542294
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121082445
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
1-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121082295
N-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501480
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318

Frequently Asked Questions

What is the IUPAC name of N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide (CID 108501440) is N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide is Cc1nc(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)sc1C.
What is the InChIKey of N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is AZDLWIJGBVVGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2S/c1-7-8(2)23-13(18-7)20-12(22)11(21)19-10-5-3-4-9(6-10)14(15,16)17/h3-6H,1-2H3,(H,19,21)(H,18,20,22).
What are the key properties of N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide?
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 343.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108501440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).