(1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol

C13H15NOS — CID 174457838

IUPAC(1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol
SMILESO[C@H](CCCc1ccccc1)c1nccs1
InChIInChI=1S/C13H15NOS/c15-12(13-14-9-10-16-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,12,15H,4,7-8H2/t12-/m1/s1
InChIKeyHMRJIKMGVFXQBN-GFCCVEGCSA-N
MW233.34 g/mol
LogP3.20
Rot. Bonds5

About (1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol

(1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol (PubChem CID 174457838) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is (1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name(1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol
PubChem CID174457838
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name(1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol
SMILESO[C@H](CCCc1ccccc1)c1nccs1
InChIInChI=1S/C13H15NOS/c15-12(13-14-9-10-16-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,12,15H,4,7-8H2/t12-/m1/s1
InChIKeyHMRJIKMGVFXQBN-GFCCVEGCSA-N
XLogP3.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol?
The IUPAC name of (1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol (CID 174457838) is (1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol.
What is the SMILES notation for (1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol?
The canonical SMILES for (1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol is O[C@H](CCCc1ccccc1)c1nccs1.
What is the InChIKey of (1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol?
The InChIKey is HMRJIKMGVFXQBN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15NOS/c15-12(13-14-9-10-16-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,12,15H,4,7-8H2/t12-/m1/s1.
What are the key properties of (1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol?
(1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol has a molecular weight of 233.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol is sourced from PubChem (CID 174457838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).