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

C21H17FN4O2S — CID 1490074

IUPACN-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
SMILESCOc1ccc(-c2csc(-n3nc(-c4ccc(F)cc4)cc3NC(C)=O)n2)cc1
InChIInChI=1S/C21H17FN4O2S/c1-13(27)23-20-11-18(14-3-7-16(22)8-4-14)25-26(20)21-24-19(12-29-21)15-5-9-17(28-2)10-6-15/h3-12H,1-2H3,(H,23,27)
InChIKeyIEUJDCMVBISASC-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.77
Rot. Bonds5

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

N-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide (PubChem CID 1490074) has the molecular formula C21H17FN4O2S and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
PubChem CID1490074
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC NameN-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
SMILESCOc1ccc(-c2csc(-n3nc(-c4ccc(F)cc4)cc3NC(C)=O)n2)cc1
InChIInChI=1S/C21H17FN4O2S/c1-13(27)23-20-11-18(14-3-7-16(22)8-4-14)25-26(20)21-24-19(12-29-21)15-5-9-17(28-2)10-6-15/h3-12H,1-2H3,(H,23,27)
InChIKeyIEUJDCMVBISASC-UHFFFAOYSA-N
XLogP4.77
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methoxyphenyl)-2-thiazolyl]-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide
CID 1374043
2-[[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24968117
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-thienyl)-1H-pyrazol-5-amine
CID 1474403
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2555090
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 4540182
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4965237
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 5114416
2-(4-Fluorophenyl)-N-{2-[2-(4-methoxyphenyl)-[1,2,4]triazolo[3,2-B][1,3]thiazol-6-YL]ethyl}acetamide
CID 7243428
N-{2-[2-(4-Methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}-2-phenylacetamide
CID 7287094
N-{2-[2-(4-Methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}-2,2-dimethylpropanamide
CID 7287095
N-(4-Ethylphenyl)-2-{4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-YL}-4-methyl-1,3-thiazole-5-carboxamide
CID 16015330
N'-(4-Ethylphenyl)-N-{2-[2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}ethanediamide
CID 16032652

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide (CID 1490074) is N-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide is COc1ccc(-c2csc(-n3nc(-c4ccc(F)cc4)cc3NC(C)=O)n2)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide?
The InChIKey is IEUJDCMVBISASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c1-13(27)23-20-11-18(14-3-7-16(22)8-4-14)25-26(20)21-24-19(12-29-21)15-5-9-17(28-2)10-6-15/h3-12H,1-2H3,(H,23,27).
What are the key properties of N-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide?
N-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide has a molecular weight of 408.46 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide is sourced from PubChem (CID 1490074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).