2-(furan-2-yl)-5-propyl-1,3-thiazole-4-carboxylic acid

C11H11NO3S — CID 117098928

IUPAC2-(furan-2-yl)-5-propyl-1,3-thiazole-4-carboxylic acid
SMILESCCCc1sc(-c2ccco2)nc1C(=O)O
InChIInChI=1S/C11H11NO3S/c1-2-4-8-9(11(13)14)12-10(16-8)7-5-3-6-15-7/h3,5-6H,2,4H2,1H3,(H,13,14)
InChIKeyXABZQDYDRKQLER-UHFFFAOYSA-N
MW237.28 g/mol
LogP3.05
Rot. Bonds4

About 2-(furan-2-yl)-5-propyl-1,3-thiazole-4-carboxylic acid

2-(furan-2-yl)-5-propyl-1,3-thiazole-4-carboxylic acid (PubChem CID 117098928) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-propyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-5-propyl-1,3-thiazole-4-carboxylic acid
PubChem CID117098928
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name2-(furan-2-yl)-5-propyl-1,3-thiazole-4-carboxylic acid
SMILESCCCc1sc(-c2ccco2)nc1C(=O)O
InChIInChI=1S/C11H11NO3S/c1-2-4-8-9(11(13)14)12-10(16-8)7-5-3-6-15-7/h3,5-6H,2,4H2,1H3,(H,13,14)
InChIKeyXABZQDYDRKQLER-UHFFFAOYSA-N
XLogP3.05
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(furan-2-yl)-5-propyl-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-[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
CID 61012772
2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide
CID 43244788
butyl 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 112725402
2-benzyl-5-propyl-1,3-thiazole-4-carboxylic acid
CID 117098907
5-(bromomethyl)-2-(furan-2-yl)-4-methyl-1,3-thiazole
CID 82427297
[4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanol
CID 82439271
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-1-one
CID 170582471
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62699846
1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544577
2-(furan-2-yl)-5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 78956621
2-(furan-2-yl)-N-(2-methoxyethoxy)-5-methyl-1,3-thiazole-4-carboxamide
CID 79676397
2-(furan-2-yl)-5-methyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55893940

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-propyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-5-propyl-1,3-thiazole-4-carboxylic acid (CID 117098928) is 2-(furan-2-yl)-5-propyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-5-propyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-5-propyl-1,3-thiazole-4-carboxylic acid is CCCc1sc(-c2ccco2)nc1C(=O)O.
What is the InChIKey of 2-(furan-2-yl)-5-propyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is XABZQDYDRKQLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-2-4-8-9(11(13)14)12-10(16-8)7-5-3-6-15-7/h3,5-6H,2,4H2,1H3,(H,13,14).
What are the key properties of 2-(furan-2-yl)-5-propyl-1,3-thiazole-4-carboxylic acid?
2-(furan-2-yl)-5-propyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-propyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 117098928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).