(1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol

C10H11N3OS — CID 107783424

IUPAC(1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol
SMILESC[C@@H](O)c1ccc(Sc2ncc[nH]2)cn1
InChIInChI=1S/C10H11N3OS/c1-7(14)9-3-2-8(6-13-9)15-10-11-4-5-12-10/h2-7,14H,1H3,(H,11,12)/t7-/m1/s1
InChIKeyFXOYYCSFQSGASG-SSDOTTSWSA-N
MW221.29 g/mol
LogP2.01
Rot. Bonds3

About (1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol

(1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol (PubChem CID 107783424) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is (1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol
PubChem CID107783424
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name(1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol
SMILESC[C@@H](O)c1ccc(Sc2ncc[nH]2)cn1
InChIInChI=1S/C10H11N3OS/c1-7(14)9-3-2-8(6-13-9)15-10-11-4-5-12-10/h2-7,14H,1H3,(H,11,12)/t7-/m1/s1
InChIKeyFXOYYCSFQSGASG-SSDOTTSWSA-N
XLogP2.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol (CID 107783424) is (1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol is C[C@@H](O)c1ccc(Sc2ncc[nH]2)cn1.
What is the InChIKey of (1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol?
The InChIKey is FXOYYCSFQSGASG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7(14)9-3-2-8(6-13-9)15-10-11-4-5-12-10/h2-7,14H,1H3,(H,11,12)/t7-/m1/s1.
What are the key properties of (1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol?
(1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol has a molecular weight of 221.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol is sourced from PubChem (CID 107783424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).