1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol

C12H19NO3S — CID 116775247

IUPAC1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol
SMILESCCOC1(c2ncc(C(C)O)s2)CCOCC1
InChIInChI=1S/C12H19NO3S/c1-3-16-12(4-6-15-7-5-12)11-13-8-10(17-11)9(2)14/h8-9,14H,3-7H2,1-2H3
InChIKeyPDEDJIHPXULUAJ-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.24
Rot. Bonds4

About 1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol

1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol (PubChem CID 116775247) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol
PubChem CID116775247
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol
SMILESCCOC1(c2ncc(C(C)O)s2)CCOCC1
InChIInChI=1S/C12H19NO3S/c1-3-16-12(4-6-15-7-5-12)11-13-8-10(17-11)9(2)14/h8-9,14H,3-7H2,1-2H3
InChIKeyPDEDJIHPXULUAJ-UHFFFAOYSA-N
XLogP2.24
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol (CID 116775247) is 1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol is CCOC1(c2ncc(C(C)O)s2)CCOCC1.
What is the InChIKey of 1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is PDEDJIHPXULUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-3-16-12(4-6-15-7-5-12)11-13-8-10(17-11)9(2)14/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol?
1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 257.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 116775247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).