[5-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methanol

C10H16N2O2S — CID 81214176

IUPAC[5-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1nccs1
InChIInChI=1S/C10H16N2O2S/c1-8-7-14-9(6-13)4-12(8)5-10-11-2-3-15-10/h2-3,8-9,13H,4-7H2,1H3
InChIKeyPXRMHLFDWGBTPR-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.72
Rot. Bonds3

About [5-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methanol

[5-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methanol (PubChem CID 81214176) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is [5-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methanol
PubChem CID81214176
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name[5-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1nccs1
InChIInChI=1S/C10H16N2O2S/c1-8-7-14-9(6-13)4-12(8)5-10-11-2-3-15-10/h2-3,8-9,13H,4-7H2,1H3
InChIKeyPXRMHLFDWGBTPR-UHFFFAOYSA-N
XLogP0.72
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methanol?
The IUPAC name of [5-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methanol (CID 81214176) is [5-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methanol.
What is the SMILES notation for [5-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methanol?
The canonical SMILES for [5-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methanol is CC1COC(CO)CN1Cc1nccs1.
What is the InChIKey of [5-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methanol?
The InChIKey is PXRMHLFDWGBTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8-7-14-9(6-13)4-12(8)5-10-11-2-3-15-10/h2-3,8-9,13H,4-7H2,1H3.
What are the key properties of [5-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methanol?
[5-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methanol has a molecular weight of 228.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methanol is sourced from PubChem (CID 81214176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).