2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

C22H22ClN3O2S — CID 78823470

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H22ClN3O2S/c23-20-4-2-1-3-19(20)22-25-18(15-29-22)13-21(27)24-17-7-5-16(6-8-17)14-26-9-11-28-12-10-26/h1-8,15H,9-14H2,(H,24,27)
InChIKeyFAXIXYZNJQZXIU-UHFFFAOYSA-N
MW427.96 g/mol
LogP4.48
Rot. Bonds6

About 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 78823470) has the molecular formula C22H22ClN3O2S and a molecular weight of 427.96 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
PubChem CID78823470
Molecular FormulaC22H22ClN3O2S
Molecular Weight427.96 g/mol
Exact Mass427.11
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H22ClN3O2S/c23-20-4-2-1-3-19(20)22-25-18(15-29-22)13-21(27)24-17-7-5-16(6-8-17)14-26-9-11-28-12-10-26/h1-8,15H,9-14H2,(H,24,27)
InChIKeyFAXIXYZNJQZXIU-UHFFFAOYSA-N
XLogP4.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.96
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 31013767
2-(2-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 86978792
4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]morpholine
CID 6465501
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55388414
N-(4-ethylphenyl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110387017
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 35054371
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide
CID 39267184
N-tert-butyl-4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 46539791
N-[3-(morpholin-4-ylmethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 47776659
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide
CID 31013739
N-[4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide
CID 55732643
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 42314937

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (CID 78823470) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is FAXIXYZNJQZXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2S/c23-20-4-2-1-3-19(20)22-25-18(15-29-22)13-21(27)24-17-7-5-16(6-8-17)14-26-9-11-28-12-10-26/h1-8,15H,9-14H2,(H,24,27).
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 427.96 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 78823470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).