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

C11H12N2O3S — CID 116966881

IUPAC3-amino-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid
SMILESCc1ccc(-c2csc(C(N)CC(=O)O)n2)o1
InChIInChI=1S/C11H12N2O3S/c1-6-2-3-9(16-6)8-5-17-11(13-8)7(12)4-10(14)15/h2-3,5,7H,4,12H2,1H3,(H,14,15)
InChIKeyCGQFXHGZTFTDFB-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.19
Rot. Bonds4

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

3-amino-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid (PubChem CID 116966881) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-amino-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-amino-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid
PubChem CID116966881
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name3-amino-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid
SMILESCc1ccc(-c2csc(C(N)CC(=O)O)n2)o1
InChIInChI=1S/C11H12N2O3S/c1-6-2-3-9(16-6)8-5-17-11(13-8)7(12)4-10(14)15/h2-3,5,7H,4,12H2,1H3,(H,14,15)
InChIKeyCGQFXHGZTFTDFB-UHFFFAOYSA-N
XLogP2.19
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-[2-(5-methylfuran-2-yl)phenyl]propanoic acid
CID 170872895
ethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate
CID 43120367
2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide
CID 58181819
3-amino-3-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propanoic acid
CID 116966886
2-bromo-4-(5-methylfuran-2-yl)-1,3-thiazole
CID 112623649
N-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62544012
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanoic acid
CID 82121712
(3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 55270490
4-(5-methylfuran-2-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 116969911
methyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate
CID 104770778
2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 116965222

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid?
The IUPAC name of 3-amino-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid (CID 116966881) is 3-amino-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-amino-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid?
The canonical SMILES for 3-amino-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid is Cc1ccc(-c2csc(C(N)CC(=O)O)n2)o1.
What is the InChIKey of 3-amino-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid?
The InChIKey is CGQFXHGZTFTDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-6-2-3-9(16-6)8-5-17-11(13-8)7(12)4-10(14)15/h2-3,5,7H,4,12H2,1H3,(H,14,15).
What are the key properties of 3-amino-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid?
3-amino-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid has a molecular weight of 252.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid is sourced from PubChem (CID 116966881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).