(2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid

C6H7NO3S — CID 124595713

IUPAC(2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid
SMILESO=C(O)[C@@H](O)Cc1cncs1
InChIInChI=1S/C6H7NO3S/c8-5(6(9)10)1-4-2-7-3-11-4/h2-3,5,8H,1H2,(H,9,10)/t5-/m0/s1
InChIKeyHOABQHHFWIMUSQ-YFKPBYRVSA-N
MW173.19 g/mol
LogP0.13
Rot. Bonds3

About (2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid

(2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid (PubChem CID 124595713) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid
PubChem CID124595713
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Name(2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid
SMILESO=C(O)[C@@H](O)Cc1cncs1
InChIInChI=1S/C6H7NO3S/c8-5(6(9)10)1-4-2-7-3-11-4/h2-3,5,8H,1H2,(H,9,10)/t5-/m0/s1
InChIKeyHOABQHHFWIMUSQ-YFKPBYRVSA-N
XLogP0.13
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-thiazol-5-ylmethylsulfinyl)propanoic acid
CID 112643655
3-(1,3-thiazol-5-yl)propanoic acid
CID 45121677
3-methoxy-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol
CID 112642616
4-amino-1-(1,3-thiazol-5-yl)butan-2-ol
CID 82411793
(2S)-2-amino-3-(1,3-thiazol-5-ylmethylsulfanyl)propanoic acid
CID 107773520
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanol
CID 112641839
2-(3-bromophenyl)-3-(1,3-thiazol-5-yl)propanoic acid
CID 112641517
2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propanoic acid
CID 112641477
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride
CID 22747843
(2R)-2-(1,3-thiazol-5-ylmethylcarbamoylamino)propanoic acid
CID 104874293

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid (CID 124595713) is (2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid is O=C(O)[C@@H](O)Cc1cncs1.
What is the InChIKey of (2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid?
The InChIKey is HOABQHHFWIMUSQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H7NO3S/c8-5(6(9)10)1-4-2-7-3-11-4/h2-3,5,8H,1H2,(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid?
(2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid has a molecular weight of 173.19 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 124595713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).