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

C14H23NO3S — CID 116754344

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyoxan-4-yl)ethanol
SMILESCCOC1(C(O)Cc2nc(C)c(C)s2)CCOCC1
InChIInChI=1S/C14H23NO3S/c1-4-18-14(5-7-17-8-6-14)12(16)9-13-15-10(2)11(3)19-13/h12,16H,4-9H2,1-3H3
InChIKeyUHGFFXTZFCEQGN-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.25
Rot. Bonds5

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

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyoxan-4-yl)ethanol (PubChem CID 116754344) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyoxan-4-yl)ethanol.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyoxan-4-yl)ethanol
PubChem CID116754344
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyoxan-4-yl)ethanol
SMILESCCOC1(C(O)Cc2nc(C)c(C)s2)CCOCC1
InChIInChI=1S/C14H23NO3S/c1-4-18-14(5-7-17-8-6-14)12(16)9-13-15-10(2)11(3)19-13/h12,16H,4-9H2,1-3H3
InChIKeyUHGFFXTZFCEQGN-UHFFFAOYSA-N
XLogP2.25
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyoxan-4-yl)ethanol?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyoxan-4-yl)ethanol (CID 116754344) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyoxan-4-yl)ethanol.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyoxan-4-yl)ethanol?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyoxan-4-yl)ethanol is CCOC1(C(O)Cc2nc(C)c(C)s2)CCOCC1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyoxan-4-yl)ethanol?
The InChIKey is UHGFFXTZFCEQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-4-18-14(5-7-17-8-6-14)12(16)9-13-15-10(2)11(3)19-13/h12,16H,4-9H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyoxan-4-yl)ethanol?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyoxan-4-yl)ethanol has a molecular weight of 285.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyoxan-4-yl)ethanol is sourced from PubChem (CID 116754344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).