N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C11H15N5O2S2 — CID 46996624

IUPACN-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCCN(Cc1nc(C)no1)C(=O)CSc1nnc(C)s1
InChIInChI=1S/C11H15N5O2S2/c1-4-16(5-9-12-7(2)15-18-9)10(17)6-19-11-14-13-8(3)20-11/h4-6H2,1-3H3
InChIKeyMYCSUGOBUDHTNG-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.68
Rot. Bonds6

About N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 46996624) has the molecular formula C11H15N5O2S2 and a molecular weight of 313.41 g/mol. Its IUPAC name is N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID46996624
Molecular FormulaC11H15N5O2S2
Molecular Weight313.41 g/mol
Exact Mass313.07
IUPAC NameN-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCCN(Cc1nc(C)no1)C(=O)CSc1nnc(C)s1
InChIInChI=1S/C11H15N5O2S2/c1-4-16(5-9-12-7(2)15-18-9)10(17)6-19-11-14-13-8(3)20-11/h4-6H2,1-3H3
InChIKeyMYCSUGOBUDHTNG-UHFFFAOYSA-N
XLogP1.68
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 46996624) is N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is CCN(Cc1nc(C)no1)C(=O)CSc1nnc(C)s1.
What is the InChIKey of N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is MYCSUGOBUDHTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S2/c1-4-16(5-9-12-7(2)15-18-9)10(17)6-19-11-14-13-8(3)20-11/h4-6H2,1-3H3.
What are the key properties of N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 313.41 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 46996624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).