N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide

C23H24FN3O4S — CID 46571445

IUPACN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3CCOC(c4ccc(F)cc4)C3)n2)c(OC)c1
InChIInChI=1S/C23H24FN3O4S/c1-29-17-7-8-18(20(11-17)30-2)19-14-32-23(25-19)26-22(28)13-27-9-10-31-21(12-27)15-3-5-16(24)6-4-15/h3-8,11,14,21H,9-10,12-13H2,1-2H3,(H,25,26,28)
InChIKeyXVBOHXVLYAGLTG-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.98
Rot. Bonds7

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

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide (PubChem CID 46571445) has the molecular formula C23H24FN3O4S and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide
PubChem CID46571445
Molecular FormulaC23H24FN3O4S
Molecular Weight457.53 g/mol
Exact Mass457.15
IUPAC NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3CCOC(c4ccc(F)cc4)C3)n2)c(OC)c1
InChIInChI=1S/C23H24FN3O4S/c1-29-17-7-8-18(20(11-17)30-2)19-14-32-23(25-19)26-22(28)13-27-9-10-31-21(12-27)15-3-5-16(24)6-4-15/h3-8,11,14,21H,9-10,12-13H2,1-2H3,(H,25,26,28)
InChIKeyXVBOHXVLYAGLTG-UHFFFAOYSA-N
XLogP3.98
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 24593603
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7254805
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 36737398
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 30254150
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 29415371
2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 24594067
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 55499177
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 51934042
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 36874378
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 46558789
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfanylbutanamide
CID 18585641
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 24593769

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide?
The IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide (CID 46571445) is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide is COc1ccc(-c2csc(NC(=O)CN3CCOC(c4ccc(F)cc4)C3)n2)c(OC)c1.
What is the InChIKey of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide?
The InChIKey is XVBOHXVLYAGLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4S/c1-29-17-7-8-18(20(11-17)30-2)19-14-32-23(25-19)26-22(28)13-27-9-10-31-21(12-27)15-3-5-16(24)6-4-15/h3-8,11,14,21H,9-10,12-13H2,1-2H3,(H,25,26,28).
What are the key properties of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide?
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide has a molecular weight of 457.53 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 46571445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).