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

C22H22N2O4S — CID 10386867

IUPAC[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCOCC3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-26-17-7-3-15(4-8-17)19-20(16-5-9-18(27-2)10-6-16)29-21(23-19)22(25)24-11-13-28-14-12-24/h3-10H,11-14H2,1-2H3
InChIKeyAIKFWLIZUYBZCQ-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.97
Rot. Bonds5

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

[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone (PubChem CID 10386867) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
PubChem CID10386867
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCOCC3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-26-17-7-3-15(4-8-17)19-20(16-5-9-18(27-2)10-6-16)29-21(23-19)22(25)24-11-13-28-14-12-24/h3-10H,11-14H2,1-2H3
InChIKeyAIKFWLIZUYBZCQ-UHFFFAOYSA-N
XLogP3.97
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Pamicogrel
CID 65870
FR-122047
CID 196841
1-((4,5-Bis(4-methoxyphenyl)-2-thiazoyl)carbonyl)-4-methylpiperazine
CID 196840
2-[4-(1,3-Benzothiazol-2-yl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 2350207
[(2S)-2-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 122184039
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylpiperazine
CID 4788158
2-Aminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 9973662
4,5-bis(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 9981363
1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
CID 9998279
4,5-bis(4-methoxyphenyl)-2-(N,N-dimethylcarbamoyl)thiazole
CID 10021953
1-[[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methylurea
CID 10022853
2-Acetylaminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 10044540

Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone (CID 10386867) is [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone is COc1ccc(-c2nc(C(=O)N3CCOCC3)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
The InChIKey is AIKFWLIZUYBZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-26-17-7-3-15(4-8-17)19-20(16-5-9-18(27-2)10-6-16)29-21(23-19)22(25)24-11-13-28-14-12-24/h3-10H,11-14H2,1-2H3.
What are the key properties of [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone?
[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone has a molecular weight of 410.50 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 10386867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).