2-methyl-5-propyl-1,3-thiazole-4-carboxylic acid

C8H11NO2S — CID 83290667

IUPAC2-methyl-5-propyl-1,3-thiazole-4-carboxylic acid
SMILESCCCc1sc(C)nc1C(=O)O
InChIInChI=1S/C8H11NO2S/c1-3-4-6-7(8(10)11)9-5(2)12-6/h3-4H2,1-2H3,(H,10,11)
InChIKeyFQLSSDHQSSYJBO-UHFFFAOYSA-N
MW185.25 g/mol
LogP2.10
Rot. Bonds3

About 2-methyl-5-propyl-1,3-thiazole-4-carboxylic acid

2-methyl-5-propyl-1,3-thiazole-4-carboxylic acid (PubChem CID 83290667) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-methyl-5-propyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-propyl-1,3-thiazole-4-carboxylic acid
PubChem CID83290667
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-methyl-5-propyl-1,3-thiazole-4-carboxylic acid
SMILESCCCc1sc(C)nc1C(=O)O
InChIInChI=1S/C8H11NO2S/c1-3-4-6-7(8(10)11)9-5(2)12-6/h3-4H2,1-2H3,(H,10,11)
InChIKeyFQLSSDHQSSYJBO-UHFFFAOYSA-N
XLogP2.10
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-methyl-5-propyl-1,3-thiazole-4-carboxylic acid (CID 83290667) is 2-methyl-5-propyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-5-propyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-5-propyl-1,3-thiazole-4-carboxylic acid is CCCc1sc(C)nc1C(=O)O.
What is the InChIKey of 2-methyl-5-propyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is FQLSSDHQSSYJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-3-4-6-7(8(10)11)9-5(2)12-6/h3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-methyl-5-propyl-1,3-thiazole-4-carboxylic acid?
2-methyl-5-propyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 185.25 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 83290667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).