2-(2-fluorophenyl)-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-4-carboxamide

C20H14F2N4O2S — CID 102557272

IUPAC2-(2-fluorophenyl)-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(NC(=O)c2csc(-c3ccccc3F)n2)c2ccccc2F)no1
InChIInChI=1S/C20H14F2N4O2S/c1-11-23-18(26-28-11)17(12-6-2-4-8-14(12)21)25-19(27)16-10-29-20(24-16)13-7-3-5-9-15(13)22/h2-10,17H,1H3,(H,25,27)
InChIKeyBZYYAYOCCCCZFE-UHFFFAOYSA-N
MW412.42 g/mol
LogP4.30
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-4-carboxamide

2-(2-fluorophenyl)-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 102557272) has the molecular formula C20H14F2N4O2S and a molecular weight of 412.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID102557272
Molecular FormulaC20H14F2N4O2S
Molecular Weight412.42 g/mol
Exact Mass412.08
IUPAC Name2-(2-fluorophenyl)-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(NC(=O)c2csc(-c3ccccc3F)n2)c2ccccc2F)no1
InChIInChI=1S/C20H14F2N4O2S/c1-11-23-18(26-28-11)17(12-6-2-4-8-14(12)21)25-19(27)16-10-29-20(24-16)13-7-3-5-9-15(13)22/h2-10,17H,1H3,(H,25,27)
InChIKeyBZYYAYOCCCCZFE-UHFFFAOYSA-N
XLogP4.30
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{[1-Methyl-4-(4-Phenyl-1,3-Thiazol-2-Yl)piperidin-4-Yl]methyl}-3-[5-(Trifluoromethyl)-1,2,4-Oxadiazol-3-Yl]benzamide
CID 69950064
N-[[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-ium-4-yl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 78225992
1-[3-(3-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 16188757
3-(4-Fluorophenyl)-5-((4-(4-fluorophenyl)thiazol-2-yl)methyl)-1,2,4-oxadiazole
CID 44117820
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 70783084
1-[3-(3-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 29085192
N-(5-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)-4-methylthiazole-2-carboxamide
CID 139413233
N-(4-(2-oxo-2-(((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)amino)ethyl)thiazol-2-yl)-2-phenylacetamide
CID 45497643
N-{[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-YL]methyl}-2-benzyl-1,3-thiazole-4-carboxamide
CID 70729858
1-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 26411429
3-(4-Fluorophenyl)-5-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl}-1,2,4-oxadiazole
CID 44117818
4-fluoro-N-(4-(3-oxo-3-(((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)amino)propyl)thiazol-2-yl)benzamide
CID 45502013

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-4-carboxamide (CID 102557272) is 2-(2-fluorophenyl)-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(NC(=O)c2csc(-c3ccccc3F)n2)c2ccccc2F)no1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BZYYAYOCCCCZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2S/c1-11-23-18(26-28-11)17(12-6-2-4-8-14(12)21)25-19(27)16-10-29-20(24-16)13-7-3-5-9-15(13)22/h2-10,17H,1H3,(H,25,27).
What are the key properties of 2-(2-fluorophenyl)-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
2-(2-fluorophenyl)-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 412.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 102557272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).