2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide

C22H23N3O2S — CID 17498046

IUPAC2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1cccc(-c2nc(CC(=O)Nc3ccccc3N3CCOCC3)cs2)c1
InChIInChI=1S/C22H23N3O2S/c1-16-5-4-6-17(13-16)22-23-18(15-28-22)14-21(26)24-19-7-2-3-8-20(19)25-9-11-27-12-10-25/h2-8,13,15H,9-12,14H2,1H3,(H,24,26)
InChIKeyZWTFMQIYZOPBSP-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.14
Rot. Bonds5

About 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide

2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 17498046) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID17498046
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1cccc(-c2nc(CC(=O)Nc3ccccc3N3CCOCC3)cs2)c1
InChIInChI=1S/C22H23N3O2S/c1-16-5-4-6-17(13-16)22-23-18(15-28-22)14-21(26)24-19-7-2-3-8-20(19)25-9-11-27-12-10-25/h2-8,13,15H,9-12,14H2,1H3,(H,24,26)
InChIKeyZWTFMQIYZOPBSP-UHFFFAOYSA-N
XLogP4.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 110425209
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18189834
N-(2-bromo-4-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26737607
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 33141890
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16556831
N-(2,5-difluorophenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 60594922
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29457013
2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996829
N-(4,5-dimethoxy-2-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26771723
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one
CID 110333431
N-(5-bromo-2-morpholin-4-ylphenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46686639
methyl 3-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiophene-2-carboxylate
CID 18089786

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide (CID 17498046) is 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide is Cc1cccc(-c2nc(CC(=O)Nc3ccccc3N3CCOCC3)cs2)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is ZWTFMQIYZOPBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-16-5-4-6-17(13-16)22-23-18(15-28-22)14-21(26)24-19-7-2-3-8-20(19)25-9-11-27-12-10-25/h2-8,13,15H,9-12,14H2,1H3,(H,24,26).
What are the key properties of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 393.51 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 17498046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).