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

C21H15Cl2FN4OS — CID 16568103

IUPACN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccnn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H15Cl2FN4OS/c22-15-5-4-14(18(23)9-15)11-28-19(6-7-25-28)27-20(29)10-17-12-30-21(26-17)13-2-1-3-16(24)8-13/h1-9,12H,10-11H2,(H,27,29)
InChIKeyAHNIODMSWPNZEH-UHFFFAOYSA-N
MW461.35 g/mol
LogP5.68
Rot. Bonds6

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

N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 16568103) has the molecular formula C21H15Cl2FN4OS and a molecular weight of 461.35 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID16568103
Molecular FormulaC21H15Cl2FN4OS
Molecular Weight461.35 g/mol
Exact Mass460.03
IUPAC NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccnn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H15Cl2FN4OS/c22-15-5-4-14(18(23)9-15)11-28-19(6-7-25-28)27-20(29)10-17-12-30-21(26-17)13-2-1-3-16(24)8-13/h1-9,12H,10-11H2,(H,27,29)
InChIKeyAHNIODMSWPNZEH-UHFFFAOYSA-N
XLogP5.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.35
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 86977217
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55434126
N-[4-[2-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55435270
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-thiophen-3-ylacetamide
CID 18096280
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24506448
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 55811504
N-(3-chloro-2,6-diethylphenyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 30846845
2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-6-fluorobenzamide
CID 55435457
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 16560761
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 16568057
N-cyclopentyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 26722000
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 24525272

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide (CID 16568103) is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccnn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is AHNIODMSWPNZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2FN4OS/c22-15-5-4-14(18(23)9-15)11-28-19(6-7-25-28)27-20(29)10-17-12-30-21(26-17)13-2-1-3-16(24)8-13/h1-9,12H,10-11H2,(H,27,29).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 461.35 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 16568103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).