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

C12H14N2O3S — CID 116868145

IUPAC2-amino-3-[5-methyl-4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid
SMILESCc1ccc(-c2nc(CC(N)C(=O)O)sc2C)o1
InChIInChI=1S/C12H14N2O3S/c1-6-3-4-9(17-6)11-7(2)18-10(14-11)5-8(13)12(15)16/h3-4,8H,5,13H2,1-2H3,(H,15,16)
InChIKeyZEQSSCDVBZAKDL-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.97
Rot. Bonds4

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

2-amino-3-[5-methyl-4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid (PubChem CID 116868145) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-amino-3-[5-methyl-4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[5-methyl-4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid
PubChem CID116868145
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-amino-3-[5-methyl-4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid
SMILESCc1ccc(-c2nc(CC(N)C(=O)O)sc2C)o1
InChIInChI=1S/C12H14N2O3S/c1-6-3-4-9(17-6)11-7(2)18-10(14-11)5-8(13)12(15)16/h3-4,8H,5,13H2,1-2H3,(H,15,16)
InChIKeyZEQSSCDVBZAKDL-UHFFFAOYSA-N
XLogP1.97
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-(5-methyl-1,3-benzothiazol-2-yl)propanoic acid
CID 57034889
2-amino-3-(4-cyclobutyl-5-methyl-1,3-thiazol-2-yl)propanoic acid
CID 116868149
(2R)-2-amino-3-(1,3-benzothiazol-2-yl)propanoic acid;hydrochloride
CID 155669952
ethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate
CID 43120367
1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884656
3-amino-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid
CID 116966881
(2S)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458720
(2R)-2-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 15458721
2-benzyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 119233508
2-amino-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]acetic acid
CID 116902136
1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid
CID 43141385
(2R)-2-amino-3-(5,6-dichloro-1,3-benzothiazol-2-yl)propanoic acid
CID 54325540

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[5-methyl-4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid?
The IUPAC name of 2-amino-3-[5-methyl-4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid (CID 116868145) is 2-amino-3-[5-methyl-4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[5-methyl-4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[5-methyl-4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid is Cc1ccc(-c2nc(CC(N)C(=O)O)sc2C)o1.
What is the InChIKey of 2-amino-3-[5-methyl-4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid?
The InChIKey is ZEQSSCDVBZAKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-6-3-4-9(17-6)11-7(2)18-10(14-11)5-8(13)12(15)16/h3-4,8H,5,13H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-3-[5-methyl-4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid?
2-amino-3-[5-methyl-4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid has a molecular weight of 266.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[5-methyl-4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid is sourced from PubChem (CID 116868145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).