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

C11H10N2O5S — CID 114006424

IUPAC(2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)c1csc(-c2ccco2)n1
InChIInChI=1S/C11H10N2O5S/c14-7(11(16)17)4-12-9(15)6-5-19-10(13-6)8-2-1-3-18-8/h1-3,5,7,14H,4H2,(H,12,15)(H,16,17)/t7-/m0/s1
InChIKeyZOFSYADLJKRYLY-ZETCQYMHSA-N
MW282.28 g/mol
LogP0.58
Rot. Bonds5

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

(2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid (PubChem CID 114006424) has the molecular formula C11H10N2O5S and a molecular weight of 282.28 g/mol. Its IUPAC name is (2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid
PubChem CID114006424
Molecular FormulaC11H10N2O5S
Molecular Weight282.28 g/mol
Exact Mass282.03
IUPAC Name(2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)c1csc(-c2ccco2)n1
InChIInChI=1S/C11H10N2O5S/c14-7(11(16)17)4-12-9(15)6-5-19-10(13-6)8-2-1-3-18-8/h1-3,5,7,14H,4H2,(H,12,15)(H,16,17)/t7-/m0/s1
InChIKeyZOFSYADLJKRYLY-ZETCQYMHSA-N
XLogP0.58
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 65215285
(2S)-3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-hydroxypropanoic acid
CID 107833521
4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 81064620
N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36709264
N-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 47438726
2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 111115525
2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 66166847
methyl 4-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]benzoate
CID 38021103
N-ethoxy-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36767453
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 51089742
(2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107835842
2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 15623144

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid (CID 114006424) is (2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid is O=C(NC[C@H](O)C(=O)O)c1csc(-c2ccco2)n1.
What is the InChIKey of (2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid?
The InChIKey is ZOFSYADLJKRYLY-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H10N2O5S/c14-7(11(16)17)4-12-9(15)6-5-19-10(13-6)8-2-1-3-18-8/h1-3,5,7,14H,4H2,(H,12,15)(H,16,17)/t7-/m0/s1.
What are the key properties of (2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid?
(2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid has a molecular weight of 282.28 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 114006424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).