[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

C17H20N2O3S — CID 24713013

IUPAC[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(OCc2nc(C(=O)N3CCOCC3)cs2)c1C
InChIInChI=1S/C17H20N2O3S/c1-12-4-3-5-15(13(12)2)22-10-16-18-14(11-23-16)17(20)19-6-8-21-9-7-19/h3-5,11H,6-10H2,1-2H3
InChIKeyXWJCJEDFEICREE-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.81
Rot. Bonds4

About [2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 24713013) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is [2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
PubChem CID24713013
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(OCc2nc(C(=O)N3CCOCC3)cs2)c1C
InChIInChI=1S/C17H20N2O3S/c1-12-4-3-5-15(13(12)2)22-10-16-18-14(11-23-16)17(20)19-6-8-21-9-7-19/h3-5,11H,6-10H2,1-2H3
InChIKeyXWJCJEDFEICREE-UHFFFAOYSA-N
XLogP2.81
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (CID 24713013) is [2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is Cc1cccc(OCc2nc(C(=O)N3CCOCC3)cs2)c1C.
What is the InChIKey of [2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is XWJCJEDFEICREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-4-3-5-15(13(12)2)22-10-16-18-14(11-23-16)17(20)19-6-8-21-9-7-19/h3-5,11H,6-10H2,1-2H3.
What are the key properties of [2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 332.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24713013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).