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

C11H17NO2S — CID 115089925

IUPAC2-[2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-ol
SMILESCC(CO)c1cnc(C2CCOCC2)s1
InChIInChI=1S/C11H17NO2S/c1-8(7-13)10-6-12-11(15-10)9-2-4-14-5-3-9/h6,8-9,13H,2-5,7H2,1H3
InChIKeyLDFLNXLRYJMYNT-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.13
Rot. Bonds3

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

2-[2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-ol (PubChem CID 115089925) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-[2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-ol
PubChem CID115089925
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-[2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-ol
SMILESCC(CO)c1cnc(C2CCOCC2)s1
InChIInChI=1S/C11H17NO2S/c1-8(7-13)10-6-12-11(15-10)9-2-4-14-5-3-9/h6,8-9,13H,2-5,7H2,1H3
InChIKeyLDFLNXLRYJMYNT-UHFFFAOYSA-N
XLogP2.13
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-1-ol
CID 115090387
2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115089931
2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol
CID 115090950
2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090378
1-(2-piperidin-4-yl-1,3-thiazol-5-yl)ethanol
CID 115089882
(1R)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethanol
CID 98041177
2-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090515
2-(oxan-4-yl)-5-pyridin-4-yl-1,3-thiazole
CID 141341183
1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 65399762
1-[2-(thian-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089939
2-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115090233
2-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115090223

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-ol?
The IUPAC name of 2-[2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-ol (CID 115089925) is 2-[2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-ol.
What is the SMILES notation for 2-[2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-ol?
The canonical SMILES for 2-[2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-ol is CC(CO)c1cnc(C2CCOCC2)s1.
What is the InChIKey of 2-[2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-ol?
The InChIKey is LDFLNXLRYJMYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8(7-13)10-6-12-11(15-10)9-2-4-14-5-3-9/h6,8-9,13H,2-5,7H2,1H3.
What are the key properties of 2-[2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-ol?
2-[2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 115089925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).