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

C12H12N2O5S — CID 107833521

IUPAC(2S)-3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-hydroxypropanoic acid
SMILESO=C(Cc1csc(-c2ccco2)n1)NC[C@H](O)C(=O)O
InChIInChI=1S/C12H12N2O5S/c15-8(12(17)18)5-13-10(16)4-7-6-20-11(14-7)9-2-1-3-19-9/h1-3,6,8,15H,4-5H2,(H,13,16)(H,17,18)/t8-/m0/s1
InChIKeyDARLFMPPNJUXRS-QMMMGPOBSA-N
MW296.30 g/mol
LogP0.51
Rot. Bonds6

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

(2S)-3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-hydroxypropanoic acid (PubChem CID 107833521) has the molecular formula C12H12N2O5S and a molecular weight of 296.30 g/mol. Its IUPAC name is (2S)-3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-hydroxypropanoic acid
PubChem CID107833521
Molecular FormulaC12H12N2O5S
Molecular Weight296.30 g/mol
Exact Mass296.05
IUPAC Name(2S)-3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-hydroxypropanoic acid
SMILESO=C(Cc1csc(-c2ccco2)n1)NC[C@H](O)C(=O)O
InChIInChI=1S/C12H12N2O5S/c15-8(12(17)18)5-13-10(16)4-7-6-20-11(14-7)9-2-1-3-19-9/h1-3,6,8,15H,4-5H2,(H,13,16)(H,17,18)/t8-/m0/s1
InChIKeyDARLFMPPNJUXRS-QMMMGPOBSA-N
XLogP0.51
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid
CID 114006424
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 80748324
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 79009387
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80716928
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956632
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103876778
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 51953887
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751553
N-(4-acetamidophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31669164
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-[(1R)-1-phenylethoxy]propyl]acetamide
CID 51886493

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-hydroxypropanoic acid (CID 107833521) is (2S)-3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-hydroxypropanoic acid is O=C(Cc1csc(-c2ccco2)n1)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-hydroxypropanoic acid?
The InChIKey is DARLFMPPNJUXRS-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12N2O5S/c15-8(12(17)18)5-13-10(16)4-7-6-20-11(14-7)9-2-1-3-19-9/h1-3,6,8,15H,4-5H2,(H,13,16)(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-hydroxypropanoic acid?
(2S)-3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-hydroxypropanoic acid has a molecular weight of 296.30 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107833521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).