2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid

C12H12N2O4S — CID 119206590

IUPAC2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1csc(-c2ccoc2)n1
InChIInChI=1S/C12H12N2O4S/c1-2-14(5-10(15)16)12(17)9-7-19-11(13-9)8-3-4-18-6-8/h3-4,6-7H,2,5H2,1H3,(H,15,16)
InChIKeyBUWSVSPKNOVRHW-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.95
Rot. Bonds5

About 2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid

2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid (PubChem CID 119206590) has the molecular formula C12H12N2O4S and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
PubChem CID119206590
Molecular FormulaC12H12N2O4S
Molecular Weight280.30 g/mol
Exact Mass280.05
IUPAC Name2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1csc(-c2ccoc2)n1
InChIInChI=1S/C12H12N2O4S/c1-2-14(5-10(15)16)12(17)9-7-19-11(13-9)8-3-4-18-6-8/h3-4,6-7H,2,5H2,1H3,(H,15,16)
InChIKeyBUWSVSPKNOVRHW-UHFFFAOYSA-N
XLogP1.95
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 61021145
2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119206330
2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111543370
2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119200876
2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
CID 119204842
N-ethyl-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 109468234
2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-ethylamino]acetic acid
CID 66377881
2-[[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119253767
2-[cyclopropyl-[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 119194731
(2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119363475
2-methylsulfanylethyl 2-(furan-3-yl)-1,3-thiazole-4-carboxylate
CID 71987403
methyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 61383522

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid (CID 119206590) is 2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid is CCN(CC(=O)O)C(=O)c1csc(-c2ccoc2)n1.
What is the InChIKey of 2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid?
The InChIKey is BUWSVSPKNOVRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-2-14(5-10(15)16)12(17)9-7-19-11(13-9)8-3-4-18-6-8/h3-4,6-7H,2,5H2,1H3,(H,15,16).
What are the key properties of 2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid?
2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid has a molecular weight of 280.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 119206590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).