1-[4-(dimethylamino)-2-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone

C18H22N2O3S — CID 75477705

IUPAC1-[4-(dimethylamino)-2-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)C)cc1OCc1csc(C2CCCO2)n1
InChIInChI=1S/C18H22N2O3S/c1-12(21)15-7-6-14(20(2)3)9-17(15)23-10-13-11-24-18(19-13)16-5-4-8-22-16/h6-7,9,11,16H,4-5,8,10H2,1-3H3
InChIKeyOWPPGDQARZAPAP-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.84
Rot. Bonds6

About 1-[4-(dimethylamino)-2-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone

1-[4-(dimethylamino)-2-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone (PubChem CID 75477705) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone
PubChem CID75477705
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-[4-(dimethylamino)-2-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)C)cc1OCc1csc(C2CCCO2)n1
InChIInChI=1S/C18H22N2O3S/c1-12(21)15-7-6-14(20(2)3)9-17(15)23-10-13-11-24-18(19-13)16-5-4-8-22-16/h6-7,9,11,16H,4-5,8,10H2,1-3H3
InChIKeyOWPPGDQARZAPAP-UHFFFAOYSA-N
XLogP3.84
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-(dimethylamino)-2-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone (CID 75477705) is 1-[4-(dimethylamino)-2-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-2-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-(dimethylamino)-2-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone is CC(=O)c1ccc(N(C)C)cc1OCc1csc(C2CCCO2)n1.
What is the InChIKey of 1-[4-(dimethylamino)-2-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone?
The InChIKey is OWPPGDQARZAPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12(21)15-7-6-14(20(2)3)9-17(15)23-10-13-11-24-18(19-13)16-5-4-8-22-16/h6-7,9,11,16H,4-5,8,10H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)-2-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone?
1-[4-(dimethylamino)-2-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone has a molecular weight of 346.45 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone is sourced from PubChem (CID 75477705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).