3-methyl-5-[methyl(2,2,3,3-tetrafluoropropanoyl)amino]-1,2-thiazole-4-carboxylic acid

C9H8F4N2O3S — CID 114032519

IUPAC3-methyl-5-[methyl(2,2,3,3-tetrafluoropropanoyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)C(=O)C(F)(F)C(F)F)c1C(=O)O
InChIInChI=1S/C9H8F4N2O3S/c1-3-4(6(16)17)5(19-14-3)15(2)8(18)9(12,13)7(10)11/h7H,1-2H3,(H,16,17)
InChIKeyWIZJMGLJPLYRCU-UHFFFAOYSA-N
MW300.23 g/mol
LogP2.01
Rot. Bonds4

About 3-methyl-5-[methyl(2,2,3,3-tetrafluoropropanoyl)amino]-1,2-thiazole-4-carboxylic acid

3-methyl-5-[methyl(2,2,3,3-tetrafluoropropanoyl)amino]-1,2-thiazole-4-carboxylic acid (PubChem CID 114032519) has the molecular formula C9H8F4N2O3S and a molecular weight of 300.23 g/mol. Its IUPAC name is 3-methyl-5-[methyl(2,2,3,3-tetrafluoropropanoyl)amino]-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[methyl(2,2,3,3-tetrafluoropropanoyl)amino]-1,2-thiazole-4-carboxylic acid
PubChem CID114032519
Molecular FormulaC9H8F4N2O3S
Molecular Weight300.23 g/mol
Exact Mass300.02
IUPAC Name3-methyl-5-[methyl(2,2,3,3-tetrafluoropropanoyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)C(=O)C(F)(F)C(F)F)c1C(=O)O
InChIInChI=1S/C9H8F4N2O3S/c1-3-4(6(16)17)5(19-14-3)15(2)8(18)9(12,13)7(10)11/h7H,1-2H3,(H,16,17)
InChIKeyWIZJMGLJPLYRCU-UHFFFAOYSA-N
XLogP2.01
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-5-[methyl(2,2,3,3-tetrafluoropropanoyl)amino]-1,2-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-5-(methylamino)-1,2-thiazole-4-carboxylic acid
CID 7131140
5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid
CID 39079
3-Methyl-5-[3-(2,2,2-trifluoroethoxy)propanoylamino]-1,2-thiazole-4-carboxylic acid
CID 60870139
3-Methyl-5-(3,3,3-trifluoropropanoylamino)-1,2-thiazole-4-carboxylic acid
CID 60871360
3-Methyl-5-(2,2,2-trifluoroacetamido)isothiazole-4-carboxylic acid
CID 61000808
3-Methyl-5-(2,2,2-trifluoroethoxycarbonylamino)-1,2-thiazole-4-carboxylic acid
CID 61170792
3-Methyl-5-(4,4,4-trifluorobutanoylamino)-1,2-thiazole-4-carboxylic acid
CID 65711502
3-Methyl-5-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]-1,2-thiazole-4-carboxylic acid
CID 79397796
3-Methyl-5-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-1,2-thiazole-4-carboxylic acid
CID 79397901
3-Methyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxylic acid
CID 79401911
3-Methyl-5-[methyl(trifluoromethylsulfonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79402110
5-[Difluoromethylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402115

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[methyl(2,2,3,3-tetrafluoropropanoyl)amino]-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[methyl(2,2,3,3-tetrafluoropropanoyl)amino]-1,2-thiazole-4-carboxylic acid (CID 114032519) is 3-methyl-5-[methyl(2,2,3,3-tetrafluoropropanoyl)amino]-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[methyl(2,2,3,3-tetrafluoropropanoyl)amino]-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[methyl(2,2,3,3-tetrafluoropropanoyl)amino]-1,2-thiazole-4-carboxylic acid is Cc1nsc(N(C)C(=O)C(F)(F)C(F)F)c1C(=O)O.
What is the InChIKey of 3-methyl-5-[methyl(2,2,3,3-tetrafluoropropanoyl)amino]-1,2-thiazole-4-carboxylic acid?
The InChIKey is WIZJMGLJPLYRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2O3S/c1-3-4(6(16)17)5(19-14-3)15(2)8(18)9(12,13)7(10)11/h7H,1-2H3,(H,16,17).
What are the key properties of 3-methyl-5-[methyl(2,2,3,3-tetrafluoropropanoyl)amino]-1,2-thiazole-4-carboxylic acid?
3-methyl-5-[methyl(2,2,3,3-tetrafluoropropanoyl)amino]-1,2-thiazole-4-carboxylic acid has a molecular weight of 300.23 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[methyl(2,2,3,3-tetrafluoropropanoyl)amino]-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 114032519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).