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

C17H20N2O3S — CID 42835488

IUPAC[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(OCc2nc(C(=O)N3CCOCC3)cs2)c(C)c1
InChIInChI=1S/C17H20N2O3S/c1-12-3-4-15(13(2)9-12)22-10-16-18-14(11-23-16)17(20)19-5-7-21-8-6-19/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyGVNCMFRWRDBHMG-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.81
Rot. Bonds4

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

[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 42835488) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is [2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
PubChem CID42835488
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(OCc2nc(C(=O)N3CCOCC3)cs2)c(C)c1
InChIInChI=1S/C17H20N2O3S/c1-12-3-4-15(13(2)9-12)22-10-16-18-14(11-23-16)17(20)19-5-7-21-8-6-19/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyGVNCMFRWRDBHMG-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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Related Compounds

morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone
CID 24712645
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 24712422
1-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82302284
2-[(2,4-dimethylphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46003298
(4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone
CID 56810579
2-[(2,4-dimethylphenoxy)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46003308
3-methyl-1-[(1R)-1-(4-methylphenyl)-7-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one
CID 93335748
[4-[2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 18115159
[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methanethiol
CID 39099853
2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 28918214
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 77085528

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (CID 42835488) is [2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is Cc1ccc(OCc2nc(C(=O)N3CCOCC3)cs2)c(C)c1.
What is the InChIKey of [2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is GVNCMFRWRDBHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-3-4-15(13(2)9-12)22-10-16-18-14(11-23-16)17(20)19-5-7-21-8-6-19/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of [2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
[2-[(2,4-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-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42835488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).