2-[6-(3,4-dimethoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-5,5-dimethyl-1,3-thiazol-4-one

C20H21N3O4S — CID 58346211

IUPAC2-[6-(3,4-dimethoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-5,5-dimethyl-1,3-thiazol-4-one
SMILESCOc1ccc(-c2ccc3c(n2)N(C2=NC(=O)C(C)(C)S2)CCO3)cc1OC
InChIInChI=1S/C20H21N3O4S/c1-20(2)18(24)22-19(28-20)23-9-10-27-15-8-6-13(21-17(15)23)12-5-7-14(25-3)16(11-12)26-4/h5-8,11H,9-10H2,1-4H3
InChIKeyQGUMXKVMZZBUEL-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.37
Rot. Bonds3

About 2-[6-(3,4-dimethoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-5,5-dimethyl-1,3-thiazol-4-one

2-[6-(3,4-dimethoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-5,5-dimethyl-1,3-thiazol-4-one (PubChem CID 58346211) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-[6-(3,4-dimethoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-5,5-dimethyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[6-(3,4-dimethoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-5,5-dimethyl-1,3-thiazol-4-one
PubChem CID58346211
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name2-[6-(3,4-dimethoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-5,5-dimethyl-1,3-thiazol-4-one
SMILESCOc1ccc(-c2ccc3c(n2)N(C2=NC(=O)C(C)(C)S2)CCO3)cc1OC
InChIInChI=1S/C20H21N3O4S/c1-20(2)18(24)22-19(28-20)23-9-10-27-15-8-6-13(21-17(15)23)12-5-7-14(25-3)16(11-12)26-4/h5-8,11H,9-10H2,1-4H3
InChIKeyQGUMXKVMZZBUEL-UHFFFAOYSA-N
XLogP3.37
TPSA73.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[6-(3,4-dimethoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-5,5-dimethyl-1,3-thiazol-4-one with MolForge

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Related Compounds

2-[4-(3,4-Dimethoxy-phenyl)-6-trifluoromethyl-pyrimidin-2-ylsulfanyl]-1-(2,6-dimethyl-morpholin-4-yl)-ethanone
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4-({[4-(3,4-Dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetyl)morpholine
CID 1165981
US10336775, Example 200
CID 118911056
(2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]oxolane-2-carboxamide
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4-(1-Benzyl-6,7-dimethoxyisoquinolin-3-yl)morpholine
CID 12803996
2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 1166056
2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 1166057
2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 1166058
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86900302
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridin-2-yl]propanamide
CID 50953000
6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]-N-methylpyridin-2-amine
CID 110112418
6-[3-Methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyridin-2-amine
CID 17918405

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dimethoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-5,5-dimethyl-1,3-thiazol-4-one?
The IUPAC name of 2-[6-(3,4-dimethoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-5,5-dimethyl-1,3-thiazol-4-one (CID 58346211) is 2-[6-(3,4-dimethoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-5,5-dimethyl-1,3-thiazol-4-one.
What is the SMILES notation for 2-[6-(3,4-dimethoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-5,5-dimethyl-1,3-thiazol-4-one?
The canonical SMILES for 2-[6-(3,4-dimethoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-5,5-dimethyl-1,3-thiazol-4-one is COc1ccc(-c2ccc3c(n2)N(C2=NC(=O)C(C)(C)S2)CCO3)cc1OC.
What is the InChIKey of 2-[6-(3,4-dimethoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-5,5-dimethyl-1,3-thiazol-4-one?
The InChIKey is QGUMXKVMZZBUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-20(2)18(24)22-19(28-20)23-9-10-27-15-8-6-13(21-17(15)23)12-5-7-14(25-3)16(11-12)26-4/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 2-[6-(3,4-dimethoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-5,5-dimethyl-1,3-thiazol-4-one?
2-[6-(3,4-dimethoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-5,5-dimethyl-1,3-thiazol-4-one has a molecular weight of 399.47 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dimethoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-5,5-dimethyl-1,3-thiazol-4-one is sourced from PubChem (CID 58346211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).