N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide

C22H19ClN4O2S — CID 24506448

IUPACN-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3ccnn3Cc3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C22H19ClN4O2S/c1-29-19-8-4-16(5-9-19)22-25-18(14-30-22)12-21(28)26-20-10-11-24-27(20)13-15-2-6-17(23)7-3-15/h2-11,14H,12-13H2,1H3,(H,26,28)
InChIKeyJGNSXJOJMNSPLZ-UHFFFAOYSA-N
MW438.94 g/mol
LogP4.90
Rot. Bonds7

About N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide

N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 24506448) has the molecular formula C22H19ClN4O2S and a molecular weight of 438.94 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID24506448
Molecular FormulaC22H19ClN4O2S
Molecular Weight438.94 g/mol
Exact Mass438.09
IUPAC NameN-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3ccnn3Cc3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C22H19ClN4O2S/c1-29-19-8-4-16(5-9-19)22-25-18(14-30-22)12-21(28)26-20-10-11-24-27(20)13-15-2-6-17(23)7-3-15/h2-11,14H,12-13H2,1H3,(H,26,28)
InChIKeyJGNSXJOJMNSPLZ-UHFFFAOYSA-N
XLogP4.90
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 16568103
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16601091
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27831620
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17398411
N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 35579074
N-(2,5-dichlorophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585773
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585965
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55434126
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370392
2-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 8911690
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 18225445
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24600255

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 24506448) is N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide is COc1ccc(-c2nc(CC(=O)Nc3ccnn3Cc3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is JGNSXJOJMNSPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2S/c1-29-19-8-4-16(5-9-19)22-25-18(14-30-22)12-21(28)26-20-10-11-24-27(20)13-15-2-6-17(23)7-3-15/h2-11,14H,12-13H2,1H3,(H,26,28).
What are the key properties of N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 438.94 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 24506448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).