3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid

C14H16N2O4S — CID 119249390

IUPAC3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)Cc1csc(-c2ccoc2)n1)C(=O)O
InChIInChI=1S/C14H16N2O4S/c1-14(2,13(18)19)8-15-11(17)5-10-7-21-12(16-10)9-3-4-20-6-9/h3-4,6-7H,5,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyYDIKJCYYMYJGGX-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.17
Rot. Bonds6

About 3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid

3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 119249390) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
PubChem CID119249390
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)Cc1csc(-c2ccoc2)n1)C(=O)O
InChIInChI=1S/C14H16N2O4S/c1-14(2,13(18)19)8-15-11(17)5-10-7-21-12(16-10)9-3-4-20-6-9/h3-4,6-7H,5,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyYDIKJCYYMYJGGX-UHFFFAOYSA-N
XLogP2.17
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid with MolForge

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Related Compounds

2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484065
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119502086
N-[2-(ethylamino)ethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 119506982
2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119250199
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride
CID 120829889
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484822
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 119598856
4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229272
4-(2,2-dimethylpropyl)-2-(furan-3-yl)-1,3-thiazole
CID 166559603
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-methylsulfinylphenyl)acetamide
CID 71923086
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111435984
N-[1-(aminomethyl)cyclopentyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 119566614

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid (CID 119249390) is 3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)Cc1csc(-c2ccoc2)n1)C(=O)O.
What is the InChIKey of 3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is YDIKJCYYMYJGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-14(2,13(18)19)8-15-11(17)5-10-7-21-12(16-10)9-3-4-20-6-9/h3-4,6-7H,5,8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid?
3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 308.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 119249390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).