(1S)-1-pyridin-4-yl-1-(1,3-thiazol-2-yl)ethanol

C10H10N2OS — CID 95850481

IUPAC(1S)-1-pyridin-4-yl-1-(1,3-thiazol-2-yl)ethanol
SMILESC[C@](O)(c1ccncc1)c1nccs1
InChIInChI=1S/C10H10N2OS/c1-10(13,9-12-6-7-14-9)8-2-4-11-5-3-8/h2-7,13H,1H3/t10-/m0/s1
InChIKeyOVMWVYBRZFMDSO-JTQLQIEISA-N
MW206.27 g/mol
LogP1.79
Rot. Bonds2

About (1S)-1-pyridin-4-yl-1-(1,3-thiazol-2-yl)ethanol

(1S)-1-pyridin-4-yl-1-(1,3-thiazol-2-yl)ethanol (PubChem CID 95850481) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is (1S)-1-pyridin-4-yl-1-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-pyridin-4-yl-1-(1,3-thiazol-2-yl)ethanol
PubChem CID95850481
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name(1S)-1-pyridin-4-yl-1-(1,3-thiazol-2-yl)ethanol
SMILESC[C@](O)(c1ccncc1)c1nccs1
InChIInChI=1S/C10H10N2OS/c1-10(13,9-12-6-7-14-9)8-2-4-11-5-3-8/h2-7,13H,1H3/t10-/m0/s1
InChIKeyOVMWVYBRZFMDSO-JTQLQIEISA-N
XLogP1.79
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyridin-4-yl-1-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of (1S)-1-pyridin-4-yl-1-(1,3-thiazol-2-yl)ethanol (CID 95850481) is (1S)-1-pyridin-4-yl-1-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for (1S)-1-pyridin-4-yl-1-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for (1S)-1-pyridin-4-yl-1-(1,3-thiazol-2-yl)ethanol is C[C@](O)(c1ccncc1)c1nccs1.
What is the InChIKey of (1S)-1-pyridin-4-yl-1-(1,3-thiazol-2-yl)ethanol?
The InChIKey is OVMWVYBRZFMDSO-JTQLQIEISA-N. The full InChI is InChI=1S/C10H10N2OS/c1-10(13,9-12-6-7-14-9)8-2-4-11-5-3-8/h2-7,13H,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-pyridin-4-yl-1-(1,3-thiazol-2-yl)ethanol?
(1S)-1-pyridin-4-yl-1-(1,3-thiazol-2-yl)ethanol has a molecular weight of 206.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyridin-4-yl-1-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 95850481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).