2-[4-[2-(oxan-2-yloxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol

C13H21NO3S — CID 141190740

IUPAC2-[4-[2-(oxan-2-yloxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1scnc1CCOC1CCCCO1
InChIInChI=1S/C13H21NO3S/c1-13(2,15)12-10(14-9-18-12)6-8-17-11-5-3-4-7-16-11/h9,11,15H,3-8H2,1-2H3
InChIKeyPLEDPFBKEJSRFK-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.46
Rot. Bonds5

About 2-[4-[2-(oxan-2-yloxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol

2-[4-[2-(oxan-2-yloxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 141190740) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-[4-[2-(oxan-2-yloxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[2-(oxan-2-yloxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol
PubChem CID141190740
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-[4-[2-(oxan-2-yloxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1scnc1CCOC1CCCCO1
InChIInChI=1S/C13H21NO3S/c1-13(2,15)12-10(14-9-18-12)6-8-17-11-5-3-4-7-16-11/h9,11,15H,3-8H2,1-2H3
InChIKeyPLEDPFBKEJSRFK-UHFFFAOYSA-N
XLogP2.46
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
CID 129389896
2-methyl-6-(oxan-2-yloxy)hexan-2-ol
CID 10727469
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane
CID 11473578
[2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid
CID 23152918
ditert-butyl-hydroxy-[4-[2-(oxan-2-yloxy)ethyl]phenyl]silane;2-[4-[ditert-butyl(hydroxy)silyl]phenyl]acetic acid
CID 160574472
4-[6-[(2R)-oxan-2-yl]oxyhexyl]pyridine
CID 129363635
4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine
CID 129363636
4-[2-[(2S)-oxan-2-yl]oxyethyl]benzaldehyde
CID 86333516
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840
2-(4,4-dimethylpentoxy)oxane
CID 59628221
2-(10-thiophen-2-yldecoxy)oxane
CID 71403514

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(oxan-2-yloxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[4-[2-(oxan-2-yloxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol (CID 141190740) is 2-[4-[2-(oxan-2-yloxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[4-[2-(oxan-2-yloxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[4-[2-(oxan-2-yloxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol is CC(C)(O)c1scnc1CCOC1CCCCO1.
What is the InChIKey of 2-[4-[2-(oxan-2-yloxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is PLEDPFBKEJSRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-13(2,15)12-10(14-9-18-12)6-8-17-11-5-3-4-7-16-11/h9,11,15H,3-8H2,1-2H3.
What are the key properties of 2-[4-[2-(oxan-2-yloxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol?
2-[4-[2-(oxan-2-yloxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 271.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(oxan-2-yloxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 141190740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).