2-[2-[3-(furan-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetic acid

C12H12N2O4S — CID 28777683

IUPAC2-[2-[3-(furan-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)CCc2ccco2)n1
InChIInChI=1S/C12H12N2O4S/c15-10(4-3-9-2-1-5-18-9)14-12-13-8(7-19-12)6-11(16)17/h1-2,5,7H,3-4,6H2,(H,16,17)(H,13,14,15)
InChIKeyFNLPUTAKMITARC-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.93
Rot. Bonds6

About 2-[2-[3-(furan-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetic acid

2-[2-[3-(furan-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 28777683) has the molecular formula C12H12N2O4S and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[2-[3-(furan-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(furan-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID28777683
Molecular FormulaC12H12N2O4S
Molecular Weight280.30 g/mol
Exact Mass280.05
IUPAC Name2-[2-[3-(furan-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)CCc2ccco2)n1
InChIInChI=1S/C12H12N2O4S/c15-10(4-3-9-2-1-5-18-9)14-12-13-8(7-19-12)6-11(16)17/h1-2,5,7H,3-4,6H2,(H,16,17)(H,13,14,15)
InChIKeyFNLPUTAKMITARC-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 18863031
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)propanamide
CID 64555491
2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid
CID 107338969
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 17465652
N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 18568277
2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 106683297
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-(2-anilino-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 27377722
3-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 71973739
2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62688977
N-[4-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 38743043
4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656079

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(furan-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[3-(furan-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetic acid (CID 28777683) is 2-[2-[3-(furan-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[3-(furan-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[3-(furan-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NC(=O)CCc2ccco2)n1.
What is the InChIKey of 2-[2-[3-(furan-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is FNLPUTAKMITARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c15-10(4-3-9-2-1-5-18-9)14-12-13-8(7-19-12)6-11(16)17/h1-2,5,7H,3-4,6H2,(H,16,17)(H,13,14,15).
What are the key properties of 2-[2-[3-(furan-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[3-(furan-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 280.30 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(furan-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 28777683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).