(2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoic acid

C6H9NO2S2 — CID 9484208

IUPAC(2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoic acid
SMILESC[C@@H](SC1=NCCS1)C(=O)O
InChIInChI=1S/C6H9NO2S2/c1-4(5(8)9)11-6-7-2-3-10-6/h4H,2-3H2,1H3,(H,8,9)/t4-/m1/s1
InChIKeyHXTKCEOUJURTHN-SCSAIBSYSA-N
MW191.28 g/mol
LogP1.30
Rot. Bonds2

About (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoic acid

(2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoic acid (PubChem CID 9484208) has the molecular formula C6H9NO2S2 and a molecular weight of 191.28 g/mol. Its IUPAC name is (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoic acid
PubChem CID9484208
Molecular FormulaC6H9NO2S2
Molecular Weight191.28 g/mol
Exact Mass191.01
IUPAC Name(2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoic acid
SMILESC[C@@H](SC1=NCCS1)C(=O)O
InChIInChI=1S/C6H9NO2S2/c1-4(5(8)9)11-6-7-2-3-10-6/h4H,2-3H2,1H3,(H,8,9)/t4-/m1/s1
InChIKeyHXTKCEOUJURTHN-SCSAIBSYSA-N
XLogP1.30
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoic acid?
The IUPAC name of (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoic acid (CID 9484208) is (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoic acid.
What is the SMILES notation for (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoic acid?
The canonical SMILES for (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoic acid is C[C@@H](SC1=NCCS1)C(=O)O.
What is the InChIKey of (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoic acid?
The InChIKey is HXTKCEOUJURTHN-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9NO2S2/c1-4(5(8)9)11-6-7-2-3-10-6/h4H,2-3H2,1H3,(H,8,9)/t4-/m1/s1.
What are the key properties of (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoic acid?
(2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoic acid has a molecular weight of 191.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoic acid is sourced from PubChem (CID 9484208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).