3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one

C10H16N6OS2 — CID 62882079

IUPAC3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one
SMILESCCNc1snnc1CSc1n[nH]c(=O)n1C(C)C
InChIInChI=1S/C10H16N6OS2/c1-4-11-8-7(12-15-19-8)5-18-10-14-13-9(17)16(10)6(2)3/h6,11H,4-5H2,1-3H3,(H,13,17)
InChIKeyXMPUQYNUQJWJGP-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.73
Rot. Bonds6

About 3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one

3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one (PubChem CID 62882079) has the molecular formula C10H16N6OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one
PubChem CID62882079
Molecular FormulaC10H16N6OS2
Molecular Weight300.41 g/mol
Exact Mass300.08
IUPAC Name3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one
SMILESCCNc1snnc1CSc1n[nH]c(=O)n1C(C)C
InChIInChI=1S/C10H16N6OS2/c1-4-11-8-7(12-15-19-8)5-18-10-14-13-9(17)16(10)6(2)3/h6,11H,4-5H2,1-3H3,(H,13,17)
InChIKeyXMPUQYNUQJWJGP-UHFFFAOYSA-N
XLogP1.73
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one (CID 62882079) is 3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one is CCNc1snnc1CSc1n[nH]c(=O)n1C(C)C.
What is the InChIKey of 3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one?
The InChIKey is XMPUQYNUQJWJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6OS2/c1-4-11-8-7(12-15-19-8)5-18-10-14-13-9(17)16(10)6(2)3/h6,11H,4-5H2,1-3H3,(H,13,17).
What are the key properties of 3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one?
3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one has a molecular weight of 300.41 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 62882079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).