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

C10H15N5OS2 — CID 79774994

IUPAC4-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
SMILESCCNc1ncc(CSc2n[nH]c(=O)n2CC)s1
InChIInChI=1S/C10H15N5OS2/c1-3-11-8-12-5-7(18-8)6-17-10-14-13-9(16)15(10)4-2/h5H,3-4,6H2,1-2H3,(H,11,12)(H,13,16)
InChIKeyRLKIXBNZPZTDIM-UHFFFAOYSA-N
MW285.40 g/mol
LogP1.77
Rot. Bonds6

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

4-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one (PubChem CID 79774994) has the molecular formula C10H15N5OS2 and a molecular weight of 285.40 g/mol. Its IUPAC name is 4-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
PubChem CID79774994
Molecular FormulaC10H15N5OS2
Molecular Weight285.40 g/mol
Exact Mass285.07
IUPAC Name4-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
SMILESCCNc1ncc(CSc2n[nH]c(=O)n2CC)s1
InChIInChI=1S/C10H15N5OS2/c1-3-11-8-12-5-7(18-8)6-17-10-14-13-9(16)15(10)4-2/h5H,3-4,6H2,1-2H3,(H,11,12)(H,13,16)
InChIKeyRLKIXBNZPZTDIM-UHFFFAOYSA-N
XLogP1.77
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one (CID 79774994) is 4-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one is CCNc1ncc(CSc2n[nH]c(=O)n2CC)s1.
What is the InChIKey of 4-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one?
The InChIKey is RLKIXBNZPZTDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS2/c1-3-11-8-12-5-7(18-8)6-17-10-14-13-9(16)15(10)4-2/h5H,3-4,6H2,1-2H3,(H,11,12)(H,13,16).
What are the key properties of 4-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one?
4-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one has a molecular weight of 285.40 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 79774994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).