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

C14H16N2O4S — CID 61007308

IUPAC3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C14H16N2O4S/c1-2-16(6-5-13(18)19)12(17)8-10-9-21-14(15-10)11-4-3-7-20-11/h3-4,7,9H,2,5-6,8H2,1H3,(H,18,19)
InChIKeyKAWFJKVZYHXSSU-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.27
Rot. Bonds7

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

3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid (PubChem CID 61007308) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
PubChem CID61007308
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C14H16N2O4S/c1-2-16(6-5-13(18)19)12(17)8-10-9-21-14(15-10)11-4-3-7-20-11/h3-4,7,9H,2,5-6,8H2,1H3,(H,18,19)
InChIKeyKAWFJKVZYHXSSU-UHFFFAOYSA-N
XLogP2.27
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55542035
3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]-ethylamino]propanoic acid
CID 119191785
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 43049878
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573534
2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 61021145
N-cyclopropyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 43577125
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 46554976
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
N-ethyl-N-(furan-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide
CID 51087932
3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 61008615
2-chloro-N,N-diethyl-4-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 55673130

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid (CID 61007308) is 3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)Cc1csc(-c2ccco2)n1.
What is the InChIKey of 3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid?
The InChIKey is KAWFJKVZYHXSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-2-16(6-5-13(18)19)12(17)8-10-9-21-14(15-10)11-4-3-7-20-11/h3-4,7,9H,2,5-6,8H2,1H3,(H,18,19).
What are the key properties of 3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid?
3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid has a molecular weight of 308.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid is sourced from PubChem (CID 61007308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).