(4R)-2-ethoxy-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C6H9NO3S — CID 89396678

IUPAC(4R)-2-ethoxy-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESCCOC1=N[C@H](C(=O)O)CS1
InChIInChI=1S/C6H9NO3S/c1-2-10-6-7-4(3-11-6)5(8)9/h4H,2-3H2,1H3,(H,8,9)/t4-/m0/s1
InChIKeySYPDIWOLCSLGAS-BYPYZUCNSA-N
MW175.21 g/mol
LogP0.58
Rot. Bonds2

About (4R)-2-ethoxy-4,5-dihydro-1,3-thiazole-4-carboxylic acid

(4R)-2-ethoxy-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 89396678) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is (4R)-2-ethoxy-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-ethoxy-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID89396678
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name(4R)-2-ethoxy-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESCCOC1=N[C@H](C(=O)O)CS1
InChIInChI=1S/C6H9NO3S/c1-2-10-6-7-4(3-11-6)5(8)9/h4H,2-3H2,1H3,(H,8,9)/t4-/m0/s1
InChIKeySYPDIWOLCSLGAS-BYPYZUCNSA-N
XLogP0.58
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-ethoxy-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of (4R)-2-ethoxy-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 89396678) is (4R)-2-ethoxy-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for (4R)-2-ethoxy-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for (4R)-2-ethoxy-4,5-dihydro-1,3-thiazole-4-carboxylic acid is CCOC1=N[C@H](C(=O)O)CS1.
What is the InChIKey of (4R)-2-ethoxy-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is SYPDIWOLCSLGAS-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9NO3S/c1-2-10-6-7-4(3-11-6)5(8)9/h4H,2-3H2,1H3,(H,8,9)/t4-/m0/s1.
What are the key properties of (4R)-2-ethoxy-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
(4R)-2-ethoxy-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 175.21 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-ethoxy-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 89396678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).