2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid

C10H9NO3S — CID 28819374

IUPAC2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccc(-c2nc(CC(=O)O)cs2)o1
InChIInChI=1S/C10H9NO3S/c1-6-2-3-8(14-6)10-11-7(5-15-10)4-9(12)13/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyYDVDHYNCXQZRMG-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.34
Rot. Bonds3

About 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 28819374) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID28819374
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccc(-c2nc(CC(=O)O)cs2)o1
InChIInChI=1S/C10H9NO3S/c1-6-2-3-8(14-6)10-11-7(5-15-10)4-9(12)13/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyYDVDHYNCXQZRMG-UHFFFAOYSA-N
XLogP2.34
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 119195381
2-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 62345779
2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119250199
1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119355602
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 39129843
N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 86929464
N-(2-amino-2-ethylbutyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119642126
N-[2-(methylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 120831629
2-[4-[[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698581
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol
CID 116889582
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 55607967
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119607540

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid (CID 28819374) is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid is Cc1ccc(-c2nc(CC(=O)O)cs2)o1.
What is the InChIKey of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is YDVDHYNCXQZRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-6-2-3-8(14-6)10-11-7(5-15-10)4-9(12)13/h2-3,5H,4H2,1H3,(H,12,13).
What are the key properties of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 223.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 28819374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).