5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine

C9H13N5OS2 — CID 18147284

IUPAC5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCc1noc(CSc2nnc(NC(C)C)s2)n1
InChIInChI=1S/C9H13N5OS2/c1-5(2)10-8-12-13-9(17-8)16-4-7-11-6(3)14-15-7/h5H,4H2,1-3H3,(H,10,12)
InChIKeyYZGXPMPOHJACBN-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.34
Rot. Bonds5

About 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine

5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 18147284) has the molecular formula C9H13N5OS2 and a molecular weight of 271.37 g/mol. Its IUPAC name is 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID18147284
Molecular FormulaC9H13N5OS2
Molecular Weight271.37 g/mol
Exact Mass271.06
IUPAC Name5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCc1noc(CSc2nnc(NC(C)C)s2)n1
InChIInChI=1S/C9H13N5OS2/c1-5(2)10-8-12-13-9(17-8)16-4-7-11-6(3)14-15-7/h5H,4H2,1-3H3,(H,10,12)
InChIKeyYZGXPMPOHJACBN-UHFFFAOYSA-N
XLogP2.34
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 18147284) is 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine is Cc1noc(CSc2nnc(NC(C)C)s2)n1.
What is the InChIKey of 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is YZGXPMPOHJACBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS2/c1-5(2)10-8-12-13-9(17-8)16-4-7-11-6(3)14-15-7/h5H,4H2,1-3H3,(H,10,12).
What are the key properties of 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 271.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18147284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).