[(4R)-2-(pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol

C10H12N2OS2 — CID 139247952

IUPAC[(4R)-2-(pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol
SMILESOC[C@@H]1CSC(SCc2ccccn2)=N1
InChIInChI=1S/C10H12N2OS2/c13-5-9-7-15-10(12-9)14-6-8-3-1-2-4-11-8/h1-4,9,13H,5-7H2/t9-/m1/s1
InChIKeyJHGQGLXORJGSKZ-SECBINFHSA-N
MW240.35 g/mol
LogP1.78
Rot. Bonds3

About [(4R)-2-(pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol

[(4R)-2-(pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol (PubChem CID 139247952) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [(4R)-2-(pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[(4R)-2-(pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol
PubChem CID139247952
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC Name[(4R)-2-(pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol
SMILESOC[C@@H]1CSC(SCc2ccccn2)=N1
InChIInChI=1S/C10H12N2OS2/c13-5-9-7-15-10(12-9)14-6-8-3-1-2-4-11-8/h1-4,9,13H,5-7H2/t9-/m1/s1
InChIKeyJHGQGLXORJGSKZ-SECBINFHSA-N
XLogP1.78
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(4R)-2-(pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol?
The IUPAC name of [(4R)-2-(pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol (CID 139247952) is [(4R)-2-(pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [(4R)-2-(pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [(4R)-2-(pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol is OC[C@@H]1CSC(SCc2ccccn2)=N1.
What is the InChIKey of [(4R)-2-(pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol?
The InChIKey is JHGQGLXORJGSKZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H12N2OS2/c13-5-9-7-15-10(12-9)14-6-8-3-1-2-4-11-8/h1-4,9,13H,5-7H2/t9-/m1/s1.
What are the key properties of [(4R)-2-(pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol?
[(4R)-2-(pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol has a molecular weight of 240.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-(pyridin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 139247952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).