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

C20H15FN4O2S — CID 1490069

IUPACN-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide
SMILESCOc1ccc(-c2csc(-n3nc(-c4ccc(F)cc4)cc3NC=O)n2)cc1
InChIInChI=1S/C20H15FN4O2S/c1-27-16-8-4-14(5-9-16)18-11-28-20(23-18)25-19(22-12-26)10-17(24-25)13-2-6-15(21)7-3-13/h2-12H,1H3,(H,22,26)
InChIKeyDYWALKLQLURYBX-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.38
Rot. Bonds6

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

N-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide (PubChem CID 1490069) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide
PubChem CID1490069
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC NameN-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide
SMILESCOc1ccc(-c2csc(-n3nc(-c4ccc(F)cc4)cc3NC=O)n2)cc1
InChIInChI=1S/C20H15FN4O2S/c1-27-16-8-4-14(5-9-16)18-11-28-20(23-18)25-19(22-12-26)10-17(24-25)13-2-6-15(21)7-3-13/h2-12H,1H3,(H,22,26)
InChIKeyDYWALKLQLURYBX-UHFFFAOYSA-N
XLogP4.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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-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'-(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
N1-(3-acetamidophenyl)-N2-(2-(2-(4-methoxyphenyl)-6-methylthiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl)oxalamide
CID 16032676
2-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71602900
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474438
1H-Pyrazol-5-amine, 3-(4-methoxyphenyl)-1-(4-phenyl-2-thiazolyl)-
CID 852600
1-[2-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135508281

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]formamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide (CID 1490069) is N-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide is COc1ccc(-c2csc(-n3nc(-c4ccc(F)cc4)cc3NC=O)n2)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide?
The InChIKey is DYWALKLQLURYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c1-27-16-8-4-14(5-9-16)18-11-28-20(23-18)25-19(22-12-26)10-17(24-25)13-2-6-15(21)7-3-13/h2-12H,1H3,(H,22,26).
What are the key properties of N-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide?
N-[3-(4-fluorophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide has a molecular weight of 394.43 g/mol, XLogP of 4.38, 6 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]formamide is sourced from PubChem (CID 1490069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).