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

C12H19NO2S — CID 116967274

IUPAC2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]butan-1-ol
SMILESCCC(CO)c1nc(C2CCOCC2)cs1
InChIInChI=1S/C12H19NO2S/c1-2-9(7-14)12-13-11(8-16-12)10-3-5-15-6-4-10/h8-10,14H,2-7H2,1H3
InChIKeyKONCDWXZOGLJIM-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.52
Rot. Bonds4

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

2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]butan-1-ol (PubChem CID 116967274) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]butan-1-ol.

Molecular Properties

Compound Name2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]butan-1-ol
PubChem CID116967274
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]butan-1-ol
SMILESCCC(CO)c1nc(C2CCOCC2)cs1
InChIInChI=1S/C12H19NO2S/c1-2-9(7-14)12-13-11(8-16-12)10-3-5-15-6-4-10/h8-10,14H,2-7H2,1H3
InChIKeyKONCDWXZOGLJIM-UHFFFAOYSA-N
XLogP2.52
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]butan-1-ol?
The IUPAC name of 2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]butan-1-ol (CID 116967274) is 2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]butan-1-ol.
What is the SMILES notation for 2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]butan-1-ol?
The canonical SMILES for 2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]butan-1-ol is CCC(CO)c1nc(C2CCOCC2)cs1.
What is the InChIKey of 2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]butan-1-ol?
The InChIKey is KONCDWXZOGLJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-2-9(7-14)12-13-11(8-16-12)10-3-5-15-6-4-10/h8-10,14H,2-7H2,1H3.
What are the key properties of 2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]butan-1-ol?
2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]butan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]butan-1-ol is sourced from PubChem (CID 116967274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).