4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol

C10H16N2O2S — CID 115923399

IUPAC4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol
SMILESCc1ncsc1C(C)NC1COCC1O
InChIInChI=1S/C10H16N2O2S/c1-6-10(15-5-11-6)7(2)12-8-3-14-4-9(8)13/h5,7-9,12-13H,3-4H2,1-2H3
InChIKeyXOLNVBZKHMVZFB-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.86
Rot. Bonds3

About 4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol

4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol (PubChem CID 115923399) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol.

Molecular Properties

Compound Name4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol
PubChem CID115923399
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol
SMILESCc1ncsc1C(C)NC1COCC1O
InChIInChI=1S/C10H16N2O2S/c1-6-10(15-5-11-6)7(2)12-8-3-14-4-9(8)13/h5,7-9,12-13H,3-4H2,1-2H3
InChIKeyXOLNVBZKHMVZFB-UHFFFAOYSA-N
XLogP0.86
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol?
The IUPAC name of 4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol (CID 115923399) is 4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol.
What is the SMILES notation for 4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol?
The canonical SMILES for 4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol is Cc1ncsc1C(C)NC1COCC1O.
What is the InChIKey of 4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol?
The InChIKey is XOLNVBZKHMVZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-6-10(15-5-11-6)7(2)12-8-3-14-4-9(8)13/h5,7-9,12-13H,3-4H2,1-2H3.
What are the key properties of 4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol?
4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol has a molecular weight of 228.32 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]oxolan-3-ol is sourced from PubChem (CID 115923399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).