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

C12H12N2O5S — CID 80748324

IUPAC(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(Cc1csc(-c2ccco2)n1)N[C@H](CO)C(=O)O
InChIInChI=1S/C12H12N2O5S/c15-5-8(12(17)18)14-10(16)4-7-6-20-11(13-7)9-2-1-3-19-9/h1-3,6,8,15H,4-5H2,(H,14,16)(H,17,18)/t8-/m1/s1
InChIKeyXBCKSCTVATXILF-MRVPVSSYSA-N
MW296.30 g/mol
LogP0.51
Rot. Bonds6

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

(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 80748324) has the molecular formula C12H12N2O5S and a molecular weight of 296.30 g/mol. Its IUPAC name is (2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
PubChem CID80748324
Molecular FormulaC12H12N2O5S
Molecular Weight296.30 g/mol
Exact Mass296.05
IUPAC Name(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(Cc1csc(-c2ccco2)n1)N[C@H](CO)C(=O)O
InChIInChI=1S/C12H12N2O5S/c15-5-8(12(17)18)14-10(16)4-7-6-20-11(13-7)9-2-1-3-19-9/h1-3,6,8,15H,4-5H2,(H,14,16)(H,17,18)/t8-/m1/s1
InChIKeyXBCKSCTVATXILF-MRVPVSSYSA-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

Analyze (2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 79009387
(2S)-3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-hydroxypropanoic acid
CID 107833521
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
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80716928
N-(4-acetamidophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31669164
(2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid
CID 99779339
N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 30749222
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35256411
N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2-naphthalen-1-ylacetohydrazide
CID 32702744
N-(2-amino-2-oxoethoxy)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 112550759
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 24664742

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid (CID 80748324) is (2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid is O=C(Cc1csc(-c2ccco2)n1)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is XBCKSCTVATXILF-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12N2O5S/c15-5-8(12(17)18)14-10(16)4-7-6-20-11(13-7)9-2-1-3-19-9/h1-3,6,8,15H,4-5H2,(H,14,16)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-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 (2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80748324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).