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

C9H8N2O2S — CID 14845860

IUPAC(4R)-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2ccccn2)=N1
InChIInChI=1S/C9H8N2O2S/c12-9(13)7-5-14-8(11-7)6-3-1-2-4-10-6/h1-4,7H,5H2,(H,12,13)/t7-/m0/s1
InChIKeyIDEODMOBRJTOFG-ZETCQYMHSA-N
MW208.24 g/mol
LogP1.03
Rot. Bonds2

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

(4R)-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 14845860) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is (4R)-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID14845860
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name(4R)-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2ccccn2)=N1
InChIInChI=1S/C9H8N2O2S/c12-9(13)7-5-14-8(11-7)6-3-1-2-4-10-6/h1-4,7H,5H2,(H,12,13)/t7-/m0/s1
InChIKeyIDEODMOBRJTOFG-ZETCQYMHSA-N
XLogP1.03
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of (4R)-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 14845860) is (4R)-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for (4R)-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for (4R)-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid is O=C(O)[C@@H]1CSC(c2ccccn2)=N1.
What is the InChIKey of (4R)-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is IDEODMOBRJTOFG-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-9(13)7-5-14-8(11-7)6-3-1-2-4-10-6/h1-4,7H,5H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (4R)-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
(4R)-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-pyridin-2-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 14845860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).