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

C11H17NO2S — CID 115036298

IUPAC3-[4-(oxan-3-yl)-1,3-thiazol-2-yl]propan-1-ol
SMILESOCCCc1nc(C2CCCOC2)cs1
InChIInChI=1S/C11H17NO2S/c13-5-1-4-11-12-10(8-15-11)9-3-2-6-14-7-9/h8-9,13H,1-7H2
InChIKeyYMBTZDSKTOAFRU-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.96
Rot. Bonds4

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

3-[4-(oxan-3-yl)-1,3-thiazol-2-yl]propan-1-ol (PubChem CID 115036298) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[4-(oxan-3-yl)-1,3-thiazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(oxan-3-yl)-1,3-thiazol-2-yl]propan-1-ol
PubChem CID115036298
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name3-[4-(oxan-3-yl)-1,3-thiazol-2-yl]propan-1-ol
SMILESOCCCc1nc(C2CCCOC2)cs1
InChIInChI=1S/C11H17NO2S/c13-5-1-4-11-12-10(8-15-11)9-3-2-6-14-7-9/h8-9,13H,1-7H2
InChIKeyYMBTZDSKTOAFRU-UHFFFAOYSA-N
XLogP1.96
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
CID 116968668
2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid
CID 104749846
2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole
CID 122142392
4-(oxolan-3-yl)-2-(2-phenylethyl)-1,3-thiazole
CID 122142391
2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole
CID 116968630
4-cyclohexyl-2-propyl-1,3-thiazole
CID 130157916
2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole
CID 116965575
2-[4-(thiolan-2-yl)-1,3-thiazol-2-yl]ethanol
CID 115029322
2-bromo-4-(oxolan-3-yl)-1,3-thiazole
CID 104756423
4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 119886656
1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine
CID 104749809
1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine
CID 104749797

Frequently Asked Questions

What is the IUPAC name of 3-[4-(oxan-3-yl)-1,3-thiazol-2-yl]propan-1-ol?
The IUPAC name of 3-[4-(oxan-3-yl)-1,3-thiazol-2-yl]propan-1-ol (CID 115036298) is 3-[4-(oxan-3-yl)-1,3-thiazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(oxan-3-yl)-1,3-thiazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[4-(oxan-3-yl)-1,3-thiazol-2-yl]propan-1-ol is OCCCc1nc(C2CCCOC2)cs1.
What is the InChIKey of 3-[4-(oxan-3-yl)-1,3-thiazol-2-yl]propan-1-ol?
The InChIKey is YMBTZDSKTOAFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c13-5-1-4-11-12-10(8-15-11)9-3-2-6-14-7-9/h8-9,13H,1-7H2.
What are the key properties of 3-[4-(oxan-3-yl)-1,3-thiazol-2-yl]propan-1-ol?
3-[4-(oxan-3-yl)-1,3-thiazol-2-yl]propan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(oxan-3-yl)-1,3-thiazol-2-yl]propan-1-ol is sourced from PubChem (CID 115036298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).