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

C20H15FN4O2S — CID 75467911

IUPACN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(-c2cccc(C(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)c2)o1
InChIInChI=1S/C20H15FN4O2S/c1-11-17(13-6-8-16(21)9-7-13)22-20(28-11)23-18(26)14-4-3-5-15(10-14)19-25-24-12(2)27-19/h3-10H,1-2H3,(H,22,23,26)
InChIKeyHZHZFKTWYRXQEM-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.87
Rot. Bonds4

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

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 75467911) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID75467911
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(-c2cccc(C(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)c2)o1
InChIInChI=1S/C20H15FN4O2S/c1-11-17(13-6-8-16(21)9-7-13)22-20(28-11)23-18(26)14-4-3-5-15(10-14)19-25-24-12(2)27-19/h3-10H,1-2H3,(H,22,23,26)
InChIKeyHZHZFKTWYRXQEM-UHFFFAOYSA-N
XLogP4.87
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 75467911) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is Cc1nnc(-c2cccc(C(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)c2)o1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is HZHZFKTWYRXQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c1-11-17(13-6-8-16(21)9-7-13)22-20(28-11)23-18(26)14-4-3-5-15(10-14)19-25-24-12(2)27-19/h3-10H,1-2H3,(H,22,23,26).
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 394.43 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 75467911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).