5-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid

C10H5Cl2FN2O2S — CID 83081916

IUPAC5-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C10H5Cl2FN2O2S/c11-5-1-4(13)2-6(12)7(5)15-9-8(10(16)17)14-3-18-9/h1-3,15H,(H,16,17)
InChIKeyLDYLOXPTICDLPI-UHFFFAOYSA-N
MW307.13 g/mol
LogP4.03
Rot. Bonds3

About 5-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid

5-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 83081916) has the molecular formula C10H5Cl2FN2O2S and a molecular weight of 307.13 g/mol. Its IUPAC name is 5-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID83081916
Molecular FormulaC10H5Cl2FN2O2S
Molecular Weight307.13 g/mol
Exact Mass305.94
IUPAC Name5-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C10H5Cl2FN2O2S/c11-5-1-4(13)2-6(12)7(5)15-9-8(10(16)17)14-3-18-9/h1-3,15H,(H,16,17)
InChIKeyLDYLOXPTICDLPI-UHFFFAOYSA-N
XLogP4.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 64629867
5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 64631095
5-(2-chloro-5-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 107639805
5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 64629676
5-(2-chloro-4-cyanoanilino)-1,3-thiazole-4-carboxylic acid
CID 114003637
5-(3,5-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 64629274
3-[2-(2,6-dichloro-4-fluoroanilino)-1,3-thiazol-4-yl]propanoic acid
CID 103488405
5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64629868
5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
CID 83077979
5-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 64628867
5-(propylamino)-1,3-thiazole-4-carboxylic acid
CID 64631089
5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631692

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid (CID 83081916) is 5-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 5-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is LDYLOXPTICDLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2FN2O2S/c11-5-1-4(13)2-6(12)7(5)15-9-8(10(16)17)14-3-18-9/h1-3,15H,(H,16,17).
What are the key properties of 5-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid?
5-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 307.13 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 83081916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).