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

C11H9ClN2O2S — CID 107639805

IUPAC5-(2-chloro-5-methylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(Cl)c(Nc2scnc2C(=O)O)c1
InChIInChI=1S/C11H9ClN2O2S/c1-6-2-3-7(12)8(4-6)14-10-9(11(15)16)13-5-17-10/h2-5,14H,1H3,(H,15,16)
InChIKeyRHHGVPUSVUHBHX-UHFFFAOYSA-N
MW268.73 g/mol
LogP3.55
Rot. Bonds3

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

5-(2-chloro-5-methylanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 107639805) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is 5-(2-chloro-5-methylanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-5-methylanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID107639805
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Name5-(2-chloro-5-methylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(Cl)c(Nc2scnc2C(=O)O)c1
InChIInChI=1S/C11H9ClN2O2S/c1-6-2-3-7(12)8(4-6)14-10-9(11(15)16)13-5-17-10/h2-5,14H,1H3,(H,15,16)
InChIKeyRHHGVPUSVUHBHX-UHFFFAOYSA-N
XLogP3.55
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 53.55
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-(3,5-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 64629274
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-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 83081916
2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 107636152
6-(2-bromo-4-methylanilino)-3-chloropyridine-2-carboxylic acid
CID 29032205
5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 64630915
methyl 2-(2-chloro-5-methylanilino)-1,3-thiazole-5-carboxylate
CID 107638510
2-(2,5-dichloroanilino)-5-methylbenzoic acid
CID 63528661
5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 64631095
2-(2-chloro-5-methylanilino)acetic acid
CID 103691548

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methylanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2-chloro-5-methylanilino)-1,3-thiazole-4-carboxylic acid (CID 107639805) is 5-(2-chloro-5-methylanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-5-methylanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2-chloro-5-methylanilino)-1,3-thiazole-4-carboxylic acid is Cc1ccc(Cl)c(Nc2scnc2C(=O)O)c1.
What is the InChIKey of 5-(2-chloro-5-methylanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is RHHGVPUSVUHBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c1-6-2-3-7(12)8(4-6)14-10-9(11(15)16)13-5-17-10/h2-5,14H,1H3,(H,15,16).
What are the key properties of 5-(2-chloro-5-methylanilino)-1,3-thiazole-4-carboxylic acid?
5-(2-chloro-5-methylanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 268.73 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methylanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 107639805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).