2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid

C15H17NO2S — CID 106510621

IUPAC2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(-c2ccc(CC(C)C)cc2)s1
InChIInChI=1S/C15H17NO2S/c1-9(2)8-11-4-6-12(7-5-11)14-13(15(17)18)16-10(3)19-14/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyDTZFOKAIFHNJHR-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.02
Rot. Bonds4

About 2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid

2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 106510621) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID106510621
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(-c2ccc(CC(C)C)cc2)s1
InChIInChI=1S/C15H17NO2S/c1-9(2)8-11-4-6-12(7-5-11)14-13(15(17)18)16-10(3)19-14/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyDTZFOKAIFHNJHR-UHFFFAOYSA-N
XLogP4.02
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid (CID 106510621) is 2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid is Cc1nc(C(=O)O)c(-c2ccc(CC(C)C)cc2)s1.
What is the InChIKey of 2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is DTZFOKAIFHNJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-9(2)8-11-4-6-12(7-5-11)14-13(15(17)18)16-10(3)19-14/h4-7,9H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid?
2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 275.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).