(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

C11H16N2O3S — CID 81208761

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCOC(CO)C2)s1
InChIInChI=1S/C11H16N2O3S/c1-7-10(17-8(2)12-7)11(15)13-3-4-16-9(5-13)6-14/h9,14H,3-6H2,1-2H3
InChIKeySLPLNFXLFNSJQO-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.59
Rot. Bonds2

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

(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 81208761) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID81208761
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCOC(CO)C2)s1
InChIInChI=1S/C11H16N2O3S/c1-7-10(17-8(2)12-7)11(15)13-3-4-16-9(5-13)6-14/h9,14H,3-6H2,1-2H3
InChIKeySLPLNFXLFNSJQO-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 81208761) is (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is Cc1nc(C)c(C(=O)N2CCOC(CO)C2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is SLPLNFXLFNSJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7-10(17-8(2)12-7)11(15)13-3-4-16-9(5-13)6-14/h9,14H,3-6H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 256.33 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81208761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).