2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide

C22H17ClN4O2S — CID 134009590

IUPAC2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide
SMILESO=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C22H17ClN4O2S/c23-16-6-8-19(9-7-16)29-13-21-27-17(14-30-21)10-20(28)26-18-11-24-22(25-12-18)15-4-2-1-3-5-15/h1-9,11-12,14H,10,13H2,(H,26,28)
InChIKeyQUNIWPPGZIENGO-UHFFFAOYSA-N
MW436.92 g/mol
LogP5.01
Rot. Bonds7

About 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide (PubChem CID 134009590) has the molecular formula C22H17ClN4O2S and a molecular weight of 436.92 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide
PubChem CID134009590
Molecular FormulaC22H17ClN4O2S
Molecular Weight436.92 g/mol
Exact Mass436.08
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide
SMILESO=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C22H17ClN4O2S/c23-16-6-8-19(9-7-16)29-13-21-27-17(14-30-21)10-20(28)26-18-11-24-22(25-12-18)15-4-2-1-3-5-15/h1-9,11-12,14H,10,13H2,(H,26,28)
InChIKeyQUNIWPPGZIENGO-UHFFFAOYSA-N
XLogP5.01
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.92
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide
CID 55603959
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 24524635
ethyl 4-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 27285649
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-propylphenyl)acetamide
CID 18231102
N'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide
CID 35076867
N-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 24563087
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 27286822
(2S)-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 119359348
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 24524738
N-(6-chloropyrazin-2-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 47090661
N-(3-fluoro-4-methylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 25488180

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide (CID 134009590) is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide is O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide?
The InChIKey is QUNIWPPGZIENGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2S/c23-16-6-8-19(9-7-16)29-13-21-27-17(14-30-21)10-20(28)26-18-11-24-22(25-12-18)15-4-2-1-3-5-15/h1-9,11-12,14H,10,13H2,(H,26,28).
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide?
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide has a molecular weight of 436.92 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 134009590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).