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

C14H16N2O2S — CID 113306721

IUPAC5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCCCc1ccc(Nc2nc(C(=O)O)c(C)s2)cc1
InChIInChI=1S/C14H16N2O2S/c1-3-4-10-5-7-11(8-6-10)15-14-16-12(13(17)18)9(2)19-14/h5-8H,3-4H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyNBKVETWQRNTYNZ-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.85
Rot. Bonds5

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

5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 113306721) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID113306721
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCCCc1ccc(Nc2nc(C(=O)O)c(C)s2)cc1
InChIInChI=1S/C14H16N2O2S/c1-3-4-10-5-7-11(8-6-10)15-14-16-12(13(17)18)9(2)19-14/h5-8H,3-4H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyNBKVETWQRNTYNZ-UHFFFAOYSA-N
XLogP3.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid (CID 113306721) is 5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid is CCCc1ccc(Nc2nc(C(=O)O)c(C)s2)cc1.
What is the InChIKey of 5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is NBKVETWQRNTYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-4-10-5-7-11(8-6-10)15-14-16-12(13(17)18)9(2)19-14/h5-8H,3-4H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid?
5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 113306721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).