5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid

C11H9FN2O2S — CID 64629676

IUPAC5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCc1cc(F)ccc1Nc1scnc1C(=O)O
InChIInChI=1S/C11H9FN2O2S/c1-6-4-7(12)2-3-8(6)14-10-9(11(15)16)13-5-17-10/h2-5,14H,1H3,(H,15,16)
InChIKeyVCKPXHFOKFTBBG-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.03
Rot. Bonds3

About 5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid

5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64629676) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID64629676
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Name5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCc1cc(F)ccc1Nc1scnc1C(=O)O
InChIInChI=1S/C11H9FN2O2S/c1-6-4-7(12)2-3-8(6)14-10-9(11(15)16)13-5-17-10/h2-5,14H,1H3,(H,15,16)
InChIKeyVCKPXHFOKFTBBG-UHFFFAOYSA-N
XLogP3.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.03
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-(2-chloro-5-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 107639805
5-(3,5-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 64629274
5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 64631095
4-(4-fluoro-2-methylanilino)pyridine-2-carboxylic acid
CID 43326134
5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64630275
3,5-difluoro-4-(4-fluoro-2-methylanilino)benzoic acid
CID 63183976
5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 64630915
6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 164529757
5-(2-chloro-4-cyanoanilino)-1,3-thiazole-4-carboxylic acid
CID 114003637
5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64629868
3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid
CID 105062559

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid (CID 64629676) is 5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid is Cc1cc(F)ccc1Nc1scnc1C(=O)O.
What is the InChIKey of 5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is VCKPXHFOKFTBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c1-6-4-7(12)2-3-8(6)14-10-9(11(15)16)13-5-17-10/h2-5,14H,1H3,(H,15,16).
What are the key properties of 5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid?
5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64629676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).