cyclohexa-1,5-dien-1-yl-[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]methanone

C23H26N2O3S — CID 177183944

IUPACcyclohexa-1,5-dien-1-yl-[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]methanone
SMILESCOc1ccccc1-c1csc(C2CN(C(=O)C3=CCCC=C3)CC(C)(C)O2)n1
InChIInChI=1S/C23H26N2O3S/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/h5,7-12,14,20H,4,6,13,15H2,1-3H3
InChIKeyJMJGZJNEYDTXPQ-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.77
Rot. Bonds4

About cyclohexa-1,5-dien-1-yl-[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]methanone

cyclohexa-1,5-dien-1-yl-[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]methanone (PubChem CID 177183944) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-yl-[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-yl-[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]methanone
PubChem CID177183944
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Namecyclohexa-1,5-dien-1-yl-[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]methanone
SMILESCOc1ccccc1-c1csc(C2CN(C(=O)C3=CCCC=C3)CC(C)(C)O2)n1
InChIInChI=1S/C23H26N2O3S/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/h5,7-12,14,20H,4,6,13,15H2,1-3H3
InChIKeyJMJGZJNEYDTXPQ-UHFFFAOYSA-N
XLogP4.77
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclohexa-1,5-dien-1-yl-[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 177184019
1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one
CID 177183884
(4R)-4-methoxy-1-[4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one
CID 99830736
ethane;2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 177183918
(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
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907682
trans-(1S,3S)-3-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95859109
1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55660589
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 51126003
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 52537724
1-bicyclo[2.1.1]hexanyl-[2-[4-[2-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-methylmorpholin-4-yl]methanone
CID 177184024

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-yl-[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]methanone?
The IUPAC name of cyclohexa-1,5-dien-1-yl-[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]methanone (CID 177183944) is cyclohexa-1,5-dien-1-yl-[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for cyclohexa-1,5-dien-1-yl-[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for cyclohexa-1,5-dien-1-yl-[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]methanone is COc1ccccc1-c1csc(C2CN(C(=O)C3=CCCC=C3)CC(C)(C)O2)n1.
What is the InChIKey of cyclohexa-1,5-dien-1-yl-[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]methanone?
The InChIKey is JMJGZJNEYDTXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/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/h5,7-12,14,20H,4,6,13,15H2,1-3H3.
What are the key properties of cyclohexa-1,5-dien-1-yl-[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]methanone?
cyclohexa-1,5-dien-1-yl-[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]methanone has a molecular weight of 410.54 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-yl-[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 177183944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).