2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide

C13H23N3O2S2 — CID 47132288

IUPAC2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide
SMILESCSCc1nnc(SC(C)C(=O)N(C(C)C)C(C)C)o1
InChIInChI=1S/C13H23N3O2S2/c1-8(2)16(9(3)4)12(17)10(5)20-13-15-14-11(18-13)7-19-6/h8-10H,7H2,1-6H3
InChIKeyQWJQWMNWGOWSFO-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.06
Rot. Bonds7

About 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide

2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide (PubChem CID 47132288) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide
PubChem CID47132288
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC Name2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide
SMILESCSCc1nnc(SC(C)C(=O)N(C(C)C)C(C)C)o1
InChIInChI=1S/C13H23N3O2S2/c1-8(2)16(9(3)4)12(17)10(5)20-13-15-14-11(18-13)7-19-6/h8-10H,7H2,1-6H3
InChIKeyQWJQWMNWGOWSFO-UHFFFAOYSA-N
XLogP3.06
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide (CID 47132288) is 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide is CSCc1nnc(SC(C)C(=O)N(C(C)C)C(C)C)o1.
What is the InChIKey of 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide?
The InChIKey is QWJQWMNWGOWSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-8(2)16(9(3)4)12(17)10(5)20-13-15-14-11(18-13)7-19-6/h8-10H,7H2,1-6H3.
What are the key properties of 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide?
2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide has a molecular weight of 317.48 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 47132288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).