2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide

C21H16ClFN4OS — CID 112805880

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H16ClFN4OS/c1-13-10-19(27(26-13)16-8-6-14(23)7-9-16)25-20(28)11-15-12-29-21(24-15)17-4-2-3-5-18(17)22/h2-10,12H,11H2,1H3,(H,25,28)
InChIKeyMSCGUDCLJSRQPF-UHFFFAOYSA-N
MW426.90 g/mol
LogP5.28
Rot. Bonds5

About 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 112805880) has the molecular formula C21H16ClFN4OS and a molecular weight of 426.90 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
PubChem CID112805880
Molecular FormulaC21H16ClFN4OS
Molecular Weight426.90 g/mol
Exact Mass426.07
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H16ClFN4OS/c1-13-10-19(27(26-13)16-8-6-14(23)7-9-16)25-20(28)11-15-12-29-21(24-15)17-4-2-3-5-18(17)22/h2-10,12H,11H2,1H3,(H,25,28)
InChIKeyMSCGUDCLJSRQPF-UHFFFAOYSA-N
XLogP5.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.90
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide
CID 31013739
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 78830350
N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 141476991
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 110284938
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide
CID 39267184
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 36565957
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 39084510
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
CID 51279381
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 31013767
2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 8744734
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7668155

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide (CID 112805880) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide is Cc1cc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is MSCGUDCLJSRQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4OS/c1-13-10-19(27(26-13)16-8-6-14(23)7-9-16)25-20(28)11-15-12-29-21(24-15)17-4-2-3-5-18(17)22/h2-10,12H,11H2,1H3,(H,25,28).
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 426.90 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 112805880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).