N-[[3-[4-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide

C25H20N4O2S2 — CID 53112611

IUPACN-[[3-[4-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
SMILESCc1ccc(-c2nc(-c3ccc(-c4noc(CNC(=O)Cc5ccccc5)n4)cc3)cs2)s1
InChIInChI=1S/C25H20N4O2S2/c1-16-7-12-21(33-16)25-27-20(15-32-25)18-8-10-19(11-9-18)24-28-23(31-29-24)14-26-22(30)13-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H,26,30)
InChIKeyJXZBCYMOPLBCNT-UHFFFAOYSA-N
MW472.60 g/mol
LogP5.76
Rot. Bonds7

About N-[[3-[4-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide

N-[[3-[4-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide (PubChem CID 53112611) has the molecular formula C25H20N4O2S2 and a molecular weight of 472.60 g/mol. Its IUPAC name is N-[[3-[4-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[3-[4-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
PubChem CID53112611
Molecular FormulaC25H20N4O2S2
Molecular Weight472.60 g/mol
Exact Mass472.10
IUPAC NameN-[[3-[4-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
SMILESCc1ccc(-c2nc(-c3ccc(-c4noc(CNC(=O)Cc5ccccc5)n4)cc3)cs2)s1
InChIInChI=1S/C25H20N4O2S2/c1-16-7-12-21(33-16)25-27-20(15-32-25)18-8-10-19(11-9-18)24-28-23(31-29-24)14-26-22(30)13-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H,26,30)
InChIKeyJXZBCYMOPLBCNT-UHFFFAOYSA-N
XLogP5.76
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.60
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53112589
N-[[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103259
N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53112540
N-[[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103239
N-benzyl-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 17469813
N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53112573
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200
N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 53037018
N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 46296149
2-(2,5-dimethylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50875120
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
2-(3,4-dimethylphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 50875098

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[3-[4-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide (CID 53112611) is N-[[3-[4-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[3-[4-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[3-[4-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide is Cc1ccc(-c2nc(-c3ccc(-c4noc(CNC(=O)Cc5ccccc5)n4)cc3)cs2)s1.
What is the InChIKey of N-[[3-[4-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
The InChIKey is JXZBCYMOPLBCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2S2/c1-16-7-12-21(33-16)25-27-20(15-32-25)18-8-10-19(11-9-18)24-28-23(31-29-24)14-26-22(30)13-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H,26,30).
What are the key properties of N-[[3-[4-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
N-[[3-[4-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide has a molecular weight of 472.60 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 53112611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).