N-cyclopropyl-N-[5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide

C13H17N5O2S2 — CID 24649685

IUPACN-cyclopropyl-N-[5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)N(c1nnc(SCc2nc(CC)no2)s1)C1CC1
InChIInChI=1S/C13H17N5O2S2/c1-3-9-14-10(20-17-9)7-21-13-16-15-12(22-13)18(8-5-6-8)11(19)4-2/h8H,3-7H2,1-2H3
InChIKeyRUFAXTBSBBHFDT-UHFFFAOYSA-N
MW339.45 g/mol
LogP2.68
Rot. Bonds7

About N-cyclopropyl-N-[5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide

N-cyclopropyl-N-[5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 24649685) has the molecular formula C13H17N5O2S2 and a molecular weight of 339.45 g/mol. Its IUPAC name is N-cyclopropyl-N-[5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID24649685
Molecular FormulaC13H17N5O2S2
Molecular Weight339.45 g/mol
Exact Mass339.08
IUPAC NameN-cyclopropyl-N-[5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)N(c1nnc(SCc2nc(CC)no2)s1)C1CC1
InChIInChI=1S/C13H17N5O2S2/c1-3-9-14-10(20-17-9)7-21-13-16-15-12(22-13)18(8-5-6-8)11(19)4-2/h8H,3-7H2,1-2H3
InChIKeyRUFAXTBSBBHFDT-UHFFFAOYSA-N
XLogP2.68
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-cyclopropyl-N-[5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 24649685) is N-cyclopropyl-N-[5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-N-[5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-cyclopropyl-N-[5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)N(c1nnc(SCc2nc(CC)no2)s1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is RUFAXTBSBBHFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S2/c1-3-9-14-10(20-17-9)7-21-13-16-15-12(22-13)18(8-5-6-8)11(19)4-2/h8H,3-7H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide?
N-cyclopropyl-N-[5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 339.45 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 24649685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).