(2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid

C17H16N2O3S — CID 99779339

IUPAC(2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)NCc1csc(-c2ccco2)n1
InChIInChI=1S/C17H16N2O3S/c20-17(21)14(9-12-5-2-1-3-6-12)18-10-13-11-23-16(19-13)15-7-4-8-22-15/h1-8,11,14,18H,9-10H2,(H,20,21)/t14-/m1/s1
InChIKeyXQKZHZJKBVJXFT-CQSZACIVSA-N
MW328.39 g/mol
LogP3.19
Rot. Bonds7

About (2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid

(2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid (PubChem CID 99779339) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is (2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid
PubChem CID99779339
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name(2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)NCc1csc(-c2ccco2)n1
InChIInChI=1S/C17H16N2O3S/c20-17(21)14(9-12-5-2-1-3-6-12)18-10-13-11-23-16(19-13)15-7-4-8-22-15/h1-8,11,14,18H,9-10H2,(H,20,21)/t14-/m1/s1
InChIKeyXQKZHZJKBVJXFT-CQSZACIVSA-N
XLogP3.19
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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]acetic acid
CID 7176378
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol
CID 110884307
N-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38636174
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol
CID 111449190
(2S)-3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-hydroxypropanoic acid
CID 107833521
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 79009387
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 115593190
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2-naphthalen-1-ylacetohydrazide
CID 32702744

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid (CID 99779339) is (2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid is O=C(O)[C@@H](Cc1ccccc1)NCc1csc(-c2ccco2)n1.
What is the InChIKey of (2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid?
The InChIKey is XQKZHZJKBVJXFT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16N2O3S/c20-17(21)14(9-12-5-2-1-3-6-12)18-10-13-11-23-16(19-13)15-7-4-8-22-15/h1-8,11,14,18H,9-10H2,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid?
(2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid has a molecular weight of 328.39 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 99779339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).