1-(4-cyclopropyl-1,3-thiazol-2-yl)ethanol

C8H11NOS — CID 63906021

IUPAC1-(4-cyclopropyl-1,3-thiazol-2-yl)ethanol
SMILESCC(O)c1nc(C2CC2)cs1
InChIInChI=1S/C8H11NOS/c1-5(10)8-9-7(4-11-8)6-2-3-6/h4-6,10H,2-3H2,1H3
InChIKeyVXRSKOZTZBUVAA-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.07
Rot. Bonds2

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

1-(4-cyclopropyl-1,3-thiazol-2-yl)ethanol (PubChem CID 63906021) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 1-(4-cyclopropyl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-cyclopropyl-1,3-thiazol-2-yl)ethanol
PubChem CID63906021
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name1-(4-cyclopropyl-1,3-thiazol-2-yl)ethanol
SMILESCC(O)c1nc(C2CC2)cs1
InChIInChI=1S/C8H11NOS/c1-5(10)8-9-7(4-11-8)6-2-3-6/h4-6,10H,2-3H2,1H3
InChIKeyVXRSKOZTZBUVAA-UHFFFAOYSA-N
XLogP2.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(4-cyclopropyl-1,3-thiazol-2-yl)ethanol (CID 63906021) is 1-(4-cyclopropyl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(4-cyclopropyl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(4-cyclopropyl-1,3-thiazol-2-yl)ethanol is CC(O)c1nc(C2CC2)cs1.
What is the InChIKey of 1-(4-cyclopropyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is VXRSKOZTZBUVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-5(10)8-9-7(4-11-8)6-2-3-6/h4-6,10H,2-3H2,1H3.
What are the key properties of 1-(4-cyclopropyl-1,3-thiazol-2-yl)ethanol?
1-(4-cyclopropyl-1,3-thiazol-2-yl)ethanol has a molecular weight of 169.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 63906021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).