4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid

C12H12N2O4S — CID 80656079

IUPAC4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NC(=O)c2ccco2)n1
InChIInChI=1S/C12H12N2O4S/c15-10(16)5-1-3-8-7-19-12(13-8)14-11(17)9-4-2-6-18-9/h2,4,6-7H,1,3,5H2,(H,15,16)(H,13,14,17)
InChIKeyUMUDOLMXDMDHJQ-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.40
Rot. Bonds6

About 4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid

4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid (PubChem CID 80656079) has the molecular formula C12H12N2O4S and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
PubChem CID80656079
Molecular FormulaC12H12N2O4S
Molecular Weight280.30 g/mol
Exact Mass280.05
IUPAC Name4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NC(=O)c2ccco2)n1
InChIInChI=1S/C12H12N2O4S/c15-10(16)5-1-3-8-7-19-12(13-8)14-11(17)9-4-2-6-18-9/h2,4,6-7H,1,3,5H2,(H,15,16)(H,13,14,17)
InChIKeyUMUDOLMXDMDHJQ-UHFFFAOYSA-N
XLogP2.40
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-[4-[(5-phenylpentylamino)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 141227524
4-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 18322950
4-[2-(1H-pyrrole-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655849
N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208452
4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385
4-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655489
4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656589
N-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208479
methyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 42208461
N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17472757
N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 40881647

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid?
The IUPAC name of 4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid (CID 80656079) is 4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid.
What is the SMILES notation for 4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid?
The canonical SMILES for 4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid is O=C(O)CCCc1csc(NC(=O)c2ccco2)n1.
What is the InChIKey of 4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid?
The InChIKey is UMUDOLMXDMDHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c15-10(16)5-1-3-8-7-19-12(13-8)14-11(17)9-4-2-6-18-9/h2,4,6-7H,1,3,5H2,(H,15,16)(H,13,14,17).
What are the key properties of 4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid?
4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid has a molecular weight of 280.30 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid is sourced from PubChem (CID 80656079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).