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

C26H21ClN4O2S — CID 92655369

IUPACN-(2-chlorophenyl)-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)Nc1ccccc1Cl
InChIInChI=1S/C26H21ClN4O2S/c27-19-13-7-8-14-20(19)28-24(32)16-23-25(33)29-26(34-23)31-22(18-11-5-2-6-12-18)15-21(30-31)17-9-3-1-4-10-17/h1-14,22-23H,15-16H2,(H,28,32)/t22-,23-/m1/s1
InChIKeyWINUGKLXBDRAPD-DHIUTWEWSA-N
MW489.00 g/mol
LogP5.52
Rot. Bonds5

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

N-(2-chlorophenyl)-2-[(5R)-2-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide (PubChem CID 92655369) has the molecular formula C26H21ClN4O2S and a molecular weight of 489.00 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(5R)-2-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(5R)-2-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
PubChem CID92655369
Molecular FormulaC26H21ClN4O2S
Molecular Weight489.00 g/mol
Exact Mass488.11
IUPAC NameN-(2-chlorophenyl)-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)Nc1ccccc1Cl
InChIInChI=1S/C26H21ClN4O2S/c27-19-13-7-8-14-20(19)28-24(32)16-23-25(33)29-26(34-23)31-22(18-11-5-2-6-12-18)15-21(30-31)17-9-3-1-4-10-17/h1-14,22-23H,15-16H2,(H,28,32)/t22-,23-/m1/s1
InChIKeyWINUGKLXBDRAPD-DHIUTWEWSA-N
XLogP5.52
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.00
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-[(5R)-2-[(3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 92704467
2-[(5R)-2-[(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide
CID 92704503
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-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
N-(2-chlorophenyl)-2-[2-[3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 45031703
2-[(5R)-2-[(3S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(2-fluorophenyl)acetamide
CID 98270169
N-(4-methylphenyl)-2-[(5S)-2-[(3R)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 28984740
2-[2-[3-(4-ethylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(2-fluorophenyl)acetamide
CID 22548030
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-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
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
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

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-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-(2-chlorophenyl)-2-[(5R)-2-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide (CID 92655369) is N-(2-chlorophenyl)-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-(2-chlorophenyl)-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-(2-chlorophenyl)-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)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[(5R)-2-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?
The InChIKey is WINUGKLXBDRAPD-DHIUTWEWSA-N. The full InChI is InChI=1S/C26H21ClN4O2S/c27-19-13-7-8-14-20(19)28-24(32)16-23-25(33)29-26(34-23)31-22(18-11-5-2-6-12-18)15-21(30-31)17-9-3-1-4-10-17/h1-14,22-23H,15-16H2,(H,28,32)/t22-,23-/m1/s1.
What are the key properties of N-(2-chlorophenyl)-2-[(5R)-2-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?
N-(2-chlorophenyl)-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 489.00 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-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 92655369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).