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

C11H17NO2S — CID 116966698

IUPAC2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-ol
SMILESCC(C)(O)c1nc(C2CCOCC2)cs1
InChIInChI=1S/C11H17NO2S/c1-11(2,13)10-12-9(7-15-10)8-3-5-14-6-4-8/h7-8,13H,3-6H2,1-2H3
InChIKeyPNJSIZGRJUSBGT-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.26
Rot. Bonds2

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

2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-ol (PubChem CID 116966698) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-ol
PubChem CID116966698
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-ol
SMILESCC(C)(O)c1nc(C2CCOCC2)cs1
InChIInChI=1S/C11H17NO2S/c1-11(2,13)10-12-9(7-15-10)8-3-5-14-6-4-8/h7-8,13H,3-6H2,1-2H3
InChIKeyPNJSIZGRJUSBGT-UHFFFAOYSA-N
XLogP2.26
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 116968802
2-(4-cyclohexyl-1,3-thiazol-2-yl)propan-2-amine
CID 61338039
3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]butanoic acid
CID 116965749
N-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558388
2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]butan-1-ol
CID 116967274
N-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 104744208
4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965399
1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]cyclobutane-1-carboxylic acid
CID 116967040
2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 116969214
N-ethyl-2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]ethanamine
CID 116968368
2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid
CID 104749846
N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 104693355

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-ol?
The IUPAC name of 2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-ol (CID 116966698) is 2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-ol is CC(C)(O)c1nc(C2CCOCC2)cs1.
What is the InChIKey of 2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-ol?
The InChIKey is PNJSIZGRJUSBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-11(2,13)10-12-9(7-15-10)8-3-5-14-6-4-8/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-ol?
2-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-2-ol has a molecular weight of 227.33 g/mol, XLogP of 2.26, 2 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]propan-2-ol is sourced from PubChem (CID 116966698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).