[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]-phenylmethanone

C23H24N2O3S — CID 177184019

IUPAC[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]-phenylmethanone
SMILESCOc1ccccc1-c1csc(C2CN(C(=O)c3ccccc3)CC(C)(C)O2)n1
InChIInChI=1S/C23H24N2O3S/c1-23(2)15-25(22(26)16-9-5-4-6-10-16)13-20(28-23)21-24-18(14-29-21)17-11-7-8-12-19(17)27-3/h4-12,14,20H,13,15H2,1-3H3
InChIKeyGUEQBXPFZCXMML-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.81
Rot. Bonds4

About [6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]-phenylmethanone

[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]-phenylmethanone (PubChem CID 177184019) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is [6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]-phenylmethanone
PubChem CID177184019
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]-phenylmethanone
SMILESCOc1ccccc1-c1csc(C2CN(C(=O)c3ccccc3)CC(C)(C)O2)n1
InChIInChI=1S/C23H24N2O3S/c1-23(2)15-25(22(26)16-9-5-4-6-10-16)13-20(28-23)21-24-18(14-29-21)17-11-7-8-12-19(17)27-3/h4-12,14,20H,13,15H2,1-3H3
InChIKeyGUEQBXPFZCXMML-UHFFFAOYSA-N
XLogP4.81
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexa-1,5-dien-1-yl-[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]methanone
CID 177183944
1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one
CID 177183884
ethane;2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 177183918
(4R)-4-methoxy-1-[4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one
CID 99830736
trans-(1S,3S)-3-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95859109
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781210
(2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776093
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methoxythiophen-2-yl)methanone
CID 114779028
[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenylphenyl)methanone
CID 121096603
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907682
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 52537724
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 51126003

Frequently Asked Questions

What is the IUPAC name of [6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]-phenylmethanone?
The IUPAC name of [6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]-phenylmethanone (CID 177184019) is [6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]-phenylmethanone.
What is the SMILES notation for [6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]-phenylmethanone?
The canonical SMILES for [6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]-phenylmethanone is COc1ccccc1-c1csc(C2CN(C(=O)c3ccccc3)CC(C)(C)O2)n1.
What is the InChIKey of [6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]-phenylmethanone?
The InChIKey is GUEQBXPFZCXMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-23(2)15-25(22(26)16-9-5-4-6-10-16)13-20(28-23)21-24-18(14-29-21)17-11-7-8-12-19(17)27-3/h4-12,14,20H,13,15H2,1-3H3.
What are the key properties of [6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]-phenylmethanone?
[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]-phenylmethanone has a molecular weight of 408.52 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]-phenylmethanone is sourced from PubChem (CID 177184019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).