2-hydroxy-4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid

C13H14N2O4S2 — CID 107832419

IUPAC2-hydroxy-4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
SMILESO=C(Cc1csc(-c2cccs2)n1)NCCC(O)C(=O)O
InChIInChI=1S/C13H14N2O4S2/c16-9(13(18)19)3-4-14-11(17)6-8-7-21-12(15-8)10-2-1-5-20-10/h1-2,5,7,9,16H,3-4,6H2,(H,14,17)(H,18,19)
InChIKeySELHTNZZFYHEBS-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.37
Rot. Bonds7

About 2-hydroxy-4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid

2-hydroxy-4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid (PubChem CID 107832419) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-hydroxy-4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
PubChem CID107832419
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name2-hydroxy-4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
SMILESO=C(Cc1csc(-c2cccs2)n1)NCCC(O)C(=O)O
InChIInChI=1S/C13H14N2O4S2/c16-9(13(18)19)3-4-14-11(17)6-8-7-21-12(15-8)10-2-1-5-20-10/h1-2,5,7,9,16H,3-4,6H2,(H,14,17)(H,18,19)
InChIKeySELHTNZZFYHEBS-UHFFFAOYSA-N
XLogP1.37
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(methylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119503651
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CID 83032506
N-(5-hydroxy-4-methylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 103861890
N-[2-(ethylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119508736
2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 43170823
4-hydroxy-N-[2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzamide
CID 60517349
N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 111480419
(2S)-4-methyl-2-[[2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]acetyl]amino]pentanoic acid
CID 120694889
N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18197973
N-(4-hydroxybutan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 81048947
N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384
N-[(4-chlorophenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27666069

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid (CID 107832419) is 2-hydroxy-4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid is O=C(Cc1csc(-c2cccs2)n1)NCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid?
The InChIKey is SELHTNZZFYHEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c16-9(13(18)19)3-4-14-11(17)6-8-7-21-12(15-8)10-2-1-5-20-10/h1-2,5,7,9,16H,3-4,6H2,(H,14,17)(H,18,19).
What are the key properties of 2-hydroxy-4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid?
2-hydroxy-4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid has a molecular weight of 326.40 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 107832419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).