[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C11H16N2O3S — CID 81208164

IUPAC[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CC(CO)OCC1C
InChIInChI=1S/C11H16N2O3S/c1-7-5-16-9(4-14)3-13(7)11(15)10-8(2)12-6-17-10/h6-7,9,14H,3-5H2,1-2H3
InChIKeyNGEIMCMACPNBSP-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.67
Rot. Bonds2

About [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 81208164) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID81208164
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CC(CO)OCC1C
InChIInChI=1S/C11H16N2O3S/c1-7-5-16-9(4-14)3-13(7)11(15)10-8(2)12-6-17-10/h6-7,9,14H,3-5H2,1-2H3
InChIKeyNGEIMCMACPNBSP-UHFFFAOYSA-N
XLogP0.67
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 81208164) is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CC(CO)OCC1C.
What is the InChIKey of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is NGEIMCMACPNBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7-5-16-9(4-14)3-13(7)11(15)10-8(2)12-6-17-10/h6-7,9,14H,3-5H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 256.33 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 81208164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).