6-(2-fluoro-4-iodoanilino)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid

C15H11FIN3O3S2 — CID 67512258

IUPAC6-(2-fluoro-4-iodoanilino)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid
SMILESCSc1nc2c(C(=O)O)c(Nc3ccc(I)cc3F)n(C)c(=O)c2s1
InChIInChI=1S/C15H11FIN3O3S2/c1-20-12(18-8-4-3-6(17)5-7(8)16)9(14(22)23)10-11(13(20)21)25-15(19-10)24-2/h3-5,18H,1-2H3,(H,22,23)
InChIKeyFEMJDXPFMFVBEO-UHFFFAOYSA-N
MW491.31 g/mol
LogP3.90
Rot. Bonds4

About 6-(2-fluoro-4-iodoanilino)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid

6-(2-fluoro-4-iodoanilino)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid (PubChem CID 67512258) has the molecular formula C15H11FIN3O3S2 and a molecular weight of 491.31 g/mol. Its IUPAC name is 6-(2-fluoro-4-iodoanilino)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-(2-fluoro-4-iodoanilino)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid
PubChem CID67512258
Molecular FormulaC15H11FIN3O3S2
Molecular Weight491.31 g/mol
Exact Mass490.93
IUPAC Name6-(2-fluoro-4-iodoanilino)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid
SMILESCSc1nc2c(C(=O)O)c(Nc3ccc(I)cc3F)n(C)c(=O)c2s1
InChIInChI=1S/C15H11FIN3O3S2/c1-20-12(18-8-4-3-6(17)5-7(8)16)9(14(22)23)10-11(13(20)21)25-15(19-10)24-2/h3-5,18H,1-2H3,(H,22,23)
InChIKeyFEMJDXPFMFVBEO-UHFFFAOYSA-N
XLogP3.90
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.31
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(2-fluoro-4-iodoanilino)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-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

6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid
CID 126592205
5-acetyl-4-fluoro-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxylic acid
CID 25188086
6-(2-fluoro-4-iodoanilino)-2,5-dimethyl-4-oxofuro[3,2-c]pyridine-7-carboxylate
CID 140595554
2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 59342492
6-[(2-chloro-4-iodophenyl)methyl]-N-(2-hydroxyethoxy)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide
CID 153076078
N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 169436317
6-(2-fluoro-4-iodoanilino)-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
CID 25109796
[2-[4-(2-fluoro-4-iodoanilino)-1,3-dimethyl-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] acetate
CID 25109799
2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid
CID 169274158
4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 67523092
6-(2-fluoro-4-iodoanilino)-7-[hydroxy-(2-hydroxyethoxyamino)methyl]-5-methyl-[1,3]thiazolo[4,5-c]pyridin-4-one
CID 126592379
ethyl 6-(2-fluoro-4-methylanilino)-5-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate
CID 126592438

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-iodoanilino)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid?
The IUPAC name of 6-(2-fluoro-4-iodoanilino)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid (CID 67512258) is 6-(2-fluoro-4-iodoanilino)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-(2-fluoro-4-iodoanilino)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid?
The canonical SMILES for 6-(2-fluoro-4-iodoanilino)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid is CSc1nc2c(C(=O)O)c(Nc3ccc(I)cc3F)n(C)c(=O)c2s1.
What is the InChIKey of 6-(2-fluoro-4-iodoanilino)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid?
The InChIKey is FEMJDXPFMFVBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FIN3O3S2/c1-20-12(18-8-4-3-6(17)5-7(8)16)9(14(22)23)10-11(13(20)21)25-15(19-10)24-2/h3-5,18H,1-2H3,(H,22,23).
What are the key properties of 6-(2-fluoro-4-iodoanilino)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid?
6-(2-fluoro-4-iodoanilino)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid has a molecular weight of 491.31 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-iodoanilino)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 67512258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).