3-(furan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid

C11H11NO3S — CID 82026638

IUPAC3-(furan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid
SMILESCc1csc(C(CC(=O)O)c2ccco2)n1
InChIInChI=1S/C11H11NO3S/c1-7-6-16-11(12-7)8(5-10(13)14)9-3-2-4-15-9/h2-4,6,8H,5H2,1H3,(H,13,14)
InChIKeyKGZGPVBISZCSOC-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.65
Rot. Bonds4

About 3-(furan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid

3-(furan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid (PubChem CID 82026638) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid
PubChem CID82026638
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name3-(furan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid
SMILESCc1csc(C(CC(=O)O)c2ccco2)n1
InChIInChI=1S/C11H11NO3S/c1-7-6-16-11(12-7)8(5-10(13)14)9-3-2-4-15-9/h2-4,6,8H,5H2,1H3,(H,13,14)
InChIKeyKGZGPVBISZCSOC-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(furan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic 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

furan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanol
CID 104769449
3-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid
CID 82026644
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 111104425
1-cyclopropyl-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea
CID 97048818
2-[2-[dimethylamino(furan-2-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82045100
3-(furan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)propanal
CID 82040279
(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid
CID 69050344
(4-methyl-1,3-thiazol-2-yl)-phenylmethanol
CID 55201426
3-(furan-2-yl)-3-(2H-tetrazol-5-yl)propanoic acid
CID 82126582
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 743102
(2R)-2-(furan-2-yl)butanedioic acid
CID 919498
2-[1-[1-(furan-2-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374675

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 3-(furan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid (CID 82026638) is 3-(furan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(furan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 3-(furan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid is Cc1csc(C(CC(=O)O)c2ccco2)n1.
What is the InChIKey of 3-(furan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid?
The InChIKey is KGZGPVBISZCSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-7-6-16-11(12-7)8(5-10(13)14)9-3-2-4-15-9/h2-4,6,8H,5H2,1H3,(H,13,14).
What are the key properties of 3-(furan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid?
3-(furan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid has a molecular weight of 237.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 82026638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).