5-acetyl-2-butyl-1,3-thiazole-4-carboxylic acid

C10H13NO3S — CID 106696405

IUPAC5-acetyl-2-butyl-1,3-thiazole-4-carboxylic acid
SMILESCCCCc1nc(C(=O)O)c(C(C)=O)s1
InChIInChI=1S/C10H13NO3S/c1-3-4-5-7-11-8(10(13)14)9(15-7)6(2)12/h3-5H2,1-2H3,(H,13,14)
InChIKeyAZUVDCYFTMRTQI-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.39
Rot. Bonds5

About 5-acetyl-2-butyl-1,3-thiazole-4-carboxylic acid

5-acetyl-2-butyl-1,3-thiazole-4-carboxylic acid (PubChem CID 106696405) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 5-acetyl-2-butyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-butyl-1,3-thiazole-4-carboxylic acid
PubChem CID106696405
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name5-acetyl-2-butyl-1,3-thiazole-4-carboxylic acid
SMILESCCCCc1nc(C(=O)O)c(C(C)=O)s1
InChIInChI=1S/C10H13NO3S/c1-3-4-5-7-11-8(10(13)14)9(15-7)6(2)12/h3-5H2,1-2H3,(H,13,14)
InChIKeyAZUVDCYFTMRTQI-UHFFFAOYSA-N
XLogP2.39
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-2-butyl-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butyl-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422683
5-acetyl-2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid
CID 106696340
2,4-dihexyl-1,3-thiazole-5-carboxylic acid
CID 19885477
4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid
CID 82154814
1-(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)ethanone
CID 82438513
5-acetyl-2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid
CID 106696260
4-butyl-2-(chloromethyl)-1,3-thiazole-5-carboxylic acid
CID 19885510
4-butyl-2-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
CID 82227551
1-[2-(4-aminobutyl)-4-ethyl-1,3-thiazol-5-yl]ethanone
CID 167544356
1-[4-(methoxymethyl)-2-propyl-1,3-thiazol-5-yl]ethanone
CID 82440170
5-acetyl-2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid
CID 106696261
4-(2-chlorophenyl)-2-pentyl-1,3-thiazole-5-carboxylic acid
CID 22437363

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-butyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-butyl-1,3-thiazole-4-carboxylic acid (CID 106696405) is 5-acetyl-2-butyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-butyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-butyl-1,3-thiazole-4-carboxylic acid is CCCCc1nc(C(=O)O)c(C(C)=O)s1.
What is the InChIKey of 5-acetyl-2-butyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is AZUVDCYFTMRTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-3-4-5-7-11-8(10(13)14)9(15-7)6(2)12/h3-5H2,1-2H3,(H,13,14).
What are the key properties of 5-acetyl-2-butyl-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-butyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 227.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-butyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106696405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).