(1R)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethanol

C8H11NO3S — CID 98041177

IUPAC(1R)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethanol
SMILESC[C@@H](O)c1cnc(C2OCCO2)s1
InChIInChI=1S/C8H11NO3S/c1-5(10)6-4-9-7(13-6)8-11-2-3-12-8/h4-5,8,10H,2-3H2,1H3/t5-/m1/s1
InChIKeyPXVWXEREDOFYIK-RXMQYKEDSA-N
MW201.25 g/mol
LogP1.24
Rot. Bonds2

About (1R)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethanol

(1R)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethanol (PubChem CID 98041177) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is (1R)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethanol
PubChem CID98041177
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name(1R)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethanol
SMILESC[C@@H](O)c1cnc(C2OCCO2)s1
InChIInChI=1S/C8H11NO3S/c1-5(10)6-4-9-7(13-6)8-11-2-3-12-8/h4-5,8,10H,2-3H2,1H3/t5-/m1/s1
InChIKeyPXVWXEREDOFYIK-RXMQYKEDSA-N
XLogP1.24
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of (1R)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethanol (CID 98041177) is (1R)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for (1R)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethanol is C[C@@H](O)c1cnc(C2OCCO2)s1.
What is the InChIKey of (1R)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is PXVWXEREDOFYIK-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-5(10)6-4-9-7(13-6)8-11-2-3-12-8/h4-5,8,10H,2-3H2,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethanol?
(1R)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 201.25 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 98041177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).