2-(2,3-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid

C11H8F2N2O2S — CID 115423702

IUPAC2-(2,3-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(Nc2cccc(F)c2F)nc1C(=O)O
InChIInChI=1S/C11H8F2N2O2S/c1-5-9(10(16)17)15-11(18-5)14-7-4-2-3-6(12)8(7)13/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeySRNSJWZFOCMTCY-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.17
Rot. Bonds3

About 2-(2,3-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid

2-(2,3-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 115423702) has the molecular formula C11H8F2N2O2S and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-(2,3-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID115423702
Molecular FormulaC11H8F2N2O2S
Molecular Weight270.26 g/mol
Exact Mass270.03
IUPAC Name2-(2,3-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(Nc2cccc(F)c2F)nc1C(=O)O
InChIInChI=1S/C11H8F2N2O2S/c1-5-9(10(16)17)15-11(18-5)14-7-4-2-3-6(12)8(7)13/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeySRNSJWZFOCMTCY-UHFFFAOYSA-N
XLogP3.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-2-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306588
2-(4-bromo-2-fluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306601
2-(3,5-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306662
2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424811
ethyl 2-(2,6-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526443
2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306940
2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-6-fluorobenzoic acid
CID 61465707
methyl 2-(2-bromoanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423233
5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid
CID 113306721
ethyl 2-[2-(2,3-difluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574749
4-(2,3-difluoroanilino)benzoic acid
CID 62230863
5-acetyl-2-(2-bromo-6-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 107604321

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2,3-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 115423702) is 2-(2,3-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,3-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2,3-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid is Cc1sc(Nc2cccc(F)c2F)nc1C(=O)O.
What is the InChIKey of 2-(2,3-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is SRNSJWZFOCMTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2S/c1-5-9(10(16)17)15-11(18-5)14-7-4-2-3-6(12)8(7)13/h2-4H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(2,3-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(2,3-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 270.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115423702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).