2-[2-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide

C28H26N4O3S — CID 22426376

IUPAC2-[2-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1ccccc1C1CC(c2ccccc2)=NN1C1=NC(=O)C(CC(=O)Nc2cccc(C)c2)S1
InChIInChI=1S/C28H26N4O3S/c1-18-9-8-12-20(15-18)29-26(33)17-25-27(34)30-28(36-25)32-23(21-13-6-7-14-24(21)35-2)16-22(31-32)19-10-4-3-5-11-19/h3-15,23,25H,16-17H2,1-2H3,(H,29,33)
InChIKeyGICCECBKNHBBSX-UHFFFAOYSA-N
MW498.61 g/mol
LogP5.18
Rot. Bonds6

About 2-[2-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide

2-[2-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide (PubChem CID 22426376) has the molecular formula C28H26N4O3S and a molecular weight of 498.61 g/mol. Its IUPAC name is 2-[2-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide
PubChem CID22426376
Molecular FormulaC28H26N4O3S
Molecular Weight498.61 g/mol
Exact Mass498.17
IUPAC Name2-[2-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1ccccc1C1CC(c2ccccc2)=NN1C1=NC(=O)C(CC(=O)Nc2cccc(C)c2)S1
InChIInChI=1S/C28H26N4O3S/c1-18-9-8-12-20(15-18)29-26(33)17-25-27(34)30-28(36-25)32-23(21-13-6-7-14-24(21)35-2)16-22(31-32)19-10-4-3-5-11-19/h3-15,23,25H,16-17H2,1-2H3,(H,29,33)
InChIKeyGICCECBKNHBBSX-UHFFFAOYSA-N
XLogP5.18
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.61
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5R)-2-[(3S)-3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide
CID 51465881
2-[(5S)-2-[(3S)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide
CID 98270612
2-[(5R)-2-[(3S)-3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methoxyphenyl)acetamide
CID 98368427
2-[(5R)-2-[(3R)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methoxyphenyl)acetamide
CID 28984556
2-[2-[3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide
CID 22548089
N-(3-methoxyphenyl)-2-[(5R)-2-[(3S)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 28984700
2-[(5R)-2-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methoxyphenyl)acetamide
CID 28664343
N-(3-fluorophenyl)-2-[2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 22547988
2-[2-[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 50741144
2-[(5S)-2-[(3S)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methoxyphenyl)acetamide
CID 28984597
2-[(5S)-2-[(3R)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-phenylacetamide
CID 28984542
2-[(5S)-2-[(3R)-3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3,4-dimethylphenyl)acetamide
CID 98368401

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide (CID 22426376) is 2-[2-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide is COc1ccccc1C1CC(c2ccccc2)=NN1C1=NC(=O)C(CC(=O)Nc2cccc(C)c2)S1.
What is the InChIKey of 2-[2-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is GICCECBKNHBBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3S/c1-18-9-8-12-20(15-18)29-26(33)17-25-27(34)30-28(36-25)32-23(21-13-6-7-14-24(21)35-2)16-22(31-32)19-10-4-3-5-11-19/h3-15,23,25H,16-17H2,1-2H3,(H,29,33).
What are the key properties of 2-[2-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide?
2-[2-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 498.61 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 22426376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).