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

C26H20ClFN4O2S — CID 51603878

IUPACN-(3-chloro-4-fluorophenyl)-2-[(5R)-2-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESO=C(C[C@H]1SC(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)=NC1=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C26H20ClFN4O2S/c27-19-13-18(11-12-20(19)28)29-24(33)15-23-25(34)30-26(35-23)32-22(17-9-5-2-6-10-17)14-21(31-32)16-7-3-1-4-8-16/h1-13,22-23H,14-15H2,(H,29,33)/t22-,23-/m1/s1
InChIKeyVAEJEMKZFYBGCK-DHIUTWEWSA-N
MW506.99 g/mol
LogP5.66
Rot. Bonds5

About 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

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 (PubChem CID 51603878) has the molecular formula C26H20ClFN4O2S and a molecular weight of 506.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(5R)-2-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
PubChem CID51603878
Molecular FormulaC26H20ClFN4O2S
Molecular Weight506.99 g/mol
Exact Mass506.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(5R)-2-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESO=C(C[C@H]1SC(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)=NC1=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C26H20ClFN4O2S/c27-19-13-18(11-12-20(19)28)29-24(33)15-23-25(34)30-26(35-23)32-22(17-9-5-2-6-10-17)14-21(31-32)16-7-3-1-4-8-16/h1-13,22-23H,14-15H2,(H,29,33)/t22-,23-/m1/s1
InChIKeyVAEJEMKZFYBGCK-DHIUTWEWSA-N
XLogP5.66
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.99
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(4-fluoro-3-methylphenyl)-2-[(5S)-2-[(3S)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 51981971
N-(4-fluorophenyl)-2-[(5R)-2-[(3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 29206720
N-(3-chloro-4-fluorophenyl)-2-[(5R)-2-[(3R)-5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 98189704
N-(3,4-difluorophenyl)-2-[(5R)-2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 29207147
N-(3,4-difluorophenyl)-2-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 22548146
N-(3,4-difluorophenyl)-2-[(5S)-2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 29207153
N-(3-fluoro-4-methylphenyl)-2-[(5R)-2-[(3S)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 41068195
N-(2-chlorophenyl)-2-[(5R)-2-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 92655369
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-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 43843912
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(C[C@H]1SC(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)=NC1=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 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?
The InChIKey is VAEJEMKZFYBGCK-DHIUTWEWSA-N. The full InChI is InChI=1S/C26H20ClFN4O2S/c27-19-13-18(11-12-20(19)28)29-24(33)15-23-25(34)30-26(35-23)32-22(17-9-5-2-6-10-17)14-21(31-32)16-7-3-1-4-8-16/h1-13,22-23H,14-15H2,(H,29,33)/t22-,23-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 506.99 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 51603878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).