2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-morpholin-4-ylethanone

C23H25N3O4S — CID 134141804

IUPAC2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2nc(NCC(=O)N3CCOCC3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H25N3O4S/c1-28-18-7-3-16(4-8-18)21-22(17-5-9-19(29-2)10-6-17)31-23(25-21)24-15-20(27)26-11-13-30-14-12-26/h3-10H,11-15H2,1-2H3,(H,24,25)
InChIKeyWKGUHWXOSDQCCC-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.77
Rot. Bonds7

About 2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-morpholin-4-ylethanone

2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-morpholin-4-ylethanone (PubChem CID 134141804) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-morpholin-4-ylethanone
PubChem CID134141804
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2nc(NCC(=O)N3CCOCC3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H25N3O4S/c1-28-18-7-3-16(4-8-18)21-22(17-5-9-19(29-2)10-6-17)31-23(25-21)24-15-20(27)26-11-13-30-14-12-26/h3-10H,11-15H2,1-2H3,(H,24,25)
InChIKeyWKGUHWXOSDQCCC-UHFFFAOYSA-N
XLogP3.77
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 16644546
[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]-morpholin-4-ylmethanone
CID 11742058
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone
CID 3431885
3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 110673887
3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-morpholin-4-ylpropan-1-one
CID 110335021
2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone
CID 60976756
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
CID 28856770
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
CID 4151155
N-[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]propanamide
CID 22993762
2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone
CID 54821789
methyl 4-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
CID 26417352

Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-morpholin-4-ylethanone (CID 134141804) is 2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-morpholin-4-ylethanone is COc1ccc(-c2nc(NCC(=O)N3CCOCC3)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-morpholin-4-ylethanone?
The InChIKey is WKGUHWXOSDQCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-28-18-7-3-16(4-8-18)21-22(17-5-9-19(29-2)10-6-17)31-23(25-21)24-15-20(27)26-11-13-30-14-12-26/h3-10H,11-15H2,1-2H3,(H,24,25).
What are the key properties of 2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-morpholin-4-ylethanone?
2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-morpholin-4-ylethanone has a molecular weight of 439.54 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 134141804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).