N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C20H18N4O2S2 — CID 71922796

IUPACN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C20H18N4O2S2/c25-17(6-7-18-23-19(24-26-18)15-9-11-27-12-15)21-10-8-16-13-28-20(22-16)14-4-2-1-3-5-14/h1-5,9,11-13H,6-8,10H2,(H,21,25)
InChIKeyDGLWFIZZVXGFNX-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.21
Rot. Bonds8

About N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 71922796) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID71922796
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C20H18N4O2S2/c25-17(6-7-18-23-19(24-26-18)15-9-11-27-12-15)21-10-8-16-13-28-20(22-16)14-4-2-1-3-5-14/h1-5,9,11-13H,6-8,10H2,(H,21,25)
InChIKeyDGLWFIZZVXGFNX-UHFFFAOYSA-N
XLogP4.21
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
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N-[2-(4-chlorophenyl)sulfanylethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 71922796) is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccsc2)no1)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is DGLWFIZZVXGFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c25-17(6-7-18-23-19(24-26-18)15-9-11-27-12-15)21-10-8-16-13-28-20(22-16)14-4-2-1-3-5-14/h1-5,9,11-13H,6-8,10H2,(H,21,25).
What are the key properties of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 410.52 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 71922796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).