N-(3-chlorophenyl)-2-[(5S)-2-[(3R)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide

C26H20Cl2N4O2S — CID 98189688

IUPACN-(3-chlorophenyl)-2-[(5S)-2-[(3R)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESO=C(C[C@@H]1SC(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)=NC1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C26H20Cl2N4O2S/c27-18-11-9-16(10-12-18)21-14-22(17-5-2-1-3-6-17)32(31-21)26-30-25(34)23(35-26)15-24(33)29-20-8-4-7-19(28)13-20/h1-13,22-23H,14-15H2,(H,29,33)/t22-,23+/m1/s1
InChIKeyGEKURBNZFBEVIG-PKTZIBPZSA-N
MW523.45 g/mol
LogP6.17
Rot. Bonds5

About N-(3-chlorophenyl)-2-[(5S)-2-[(3R)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide

N-(3-chlorophenyl)-2-[(5S)-2-[(3R)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide (PubChem CID 98189688) has the molecular formula C26H20Cl2N4O2S and a molecular weight of 523.45 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(5S)-2-[(3R)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(5S)-2-[(3R)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
PubChem CID98189688
Molecular FormulaC26H20Cl2N4O2S
Molecular Weight523.45 g/mol
Exact Mass522.07
IUPAC NameN-(3-chlorophenyl)-2-[(5S)-2-[(3R)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESO=C(C[C@@H]1SC(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)=NC1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C26H20Cl2N4O2S/c27-18-11-9-16(10-12-18)21-14-22(17-5-2-1-3-6-17)32(31-21)26-30-25(34)23(35-26)15-24(33)29-20-8-4-7-19(28)13-20/h1-13,22-23H,14-15H2,(H,29,33)/t22-,23+/m1/s1
InChIKeyGEKURBNZFBEVIG-PKTZIBPZSA-N
XLogP6.17
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.45
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-chlorophenyl)acetamide
CID 22547923
N-(3-chlorophenyl)-2-[(5S)-2-[(3S)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 98190202
2-[(5R)-2-[(3S)-3-(3-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-phenylacetamide
CID 51607043
2-[(5R)-2-[(3S)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-chlorophenyl)acetamide
CID 98270105
N-(3-chlorophenyl)-2-[2-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 22524019
N-(3-chloro-4-fluorophenyl)-2-[(5R)-2-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 51603878
2-[(5S)-2-[(3S)-3-(3-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3,5-dimethylphenyl)acetamide
CID 98270497
2-[(5S)-2-[(3S)-3-(3-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3,4-difluorophenyl)acetamide
CID 98190004
N-(4-chlorophenyl)-2-[(5R)-2-[(3S)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 28984704
2-[(5S)-2-[(3S)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methoxyphenyl)acetamide
CID 98269974
2-[(5R)-2-[(3S)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methoxyphenyl)acetamide
CID 98270312
2-[(5S)-2-[(3R)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methoxyphenyl)acetamide
CID 98270311

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(5S)-2-[(3R)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(5S)-2-[(3R)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide (CID 98189688) is N-(3-chlorophenyl)-2-[(5S)-2-[(3R)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(5S)-2-[(3R)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(5S)-2-[(3R)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide is O=C(C[C@@H]1SC(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)=NC1=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(5S)-2-[(3R)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?
The InChIKey is GEKURBNZFBEVIG-PKTZIBPZSA-N. The full InChI is InChI=1S/C26H20Cl2N4O2S/c27-18-11-9-16(10-12-18)21-14-22(17-5-2-1-3-6-17)32(31-21)26-30-25(34)23(35-26)15-24(33)29-20-8-4-7-19(28)13-20/h1-13,22-23H,14-15H2,(H,29,33)/t22-,23+/m1/s1.
What are the key properties of N-(3-chlorophenyl)-2-[(5S)-2-[(3R)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?
N-(3-chlorophenyl)-2-[(5S)-2-[(3R)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide has a molecular weight of 523.45 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(5S)-2-[(3R)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 98189688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).