4-ethyl-2-methyl-5-pyridin-3-ylimino-1,2,4-thiadiazolidine-3-thione

C10H12N4S2 — CID 6539152

IUPAC4-ethyl-2-methyl-5-pyridin-3-ylimino-1,2,4-thiadiazolidine-3-thione
SMILESCCn1c(=S)n(C)s/c1=N\c1cccnc1
InChIInChI=1S/C10H12N4S2/c1-3-14-9(16-13(2)10(14)15)12-8-5-4-6-11-7-8/h4-7H,3H2,1-2H3/b12-9-
InChIKeySKLFEJQSUNHSGH-XFXZXTDPSA-N
MW252.37 g/mol
LogP2.26
Rot. Bonds2

About 4-ethyl-2-methyl-5-pyridin-3-ylimino-1,2,4-thiadiazolidine-3-thione

4-ethyl-2-methyl-5-pyridin-3-ylimino-1,2,4-thiadiazolidine-3-thione (PubChem CID 6539152) has the molecular formula C10H12N4S2 and a molecular weight of 252.37 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-pyridin-3-ylimino-1,2,4-thiadiazolidine-3-thione.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-pyridin-3-ylimino-1,2,4-thiadiazolidine-3-thione
PubChem CID6539152
Molecular FormulaC10H12N4S2
Molecular Weight252.37 g/mol
Exact Mass252.05
IUPAC Name4-ethyl-2-methyl-5-pyridin-3-ylimino-1,2,4-thiadiazolidine-3-thione
SMILESCCn1c(=S)n(C)s/c1=N\c1cccnc1
InChIInChI=1S/C10H12N4S2/c1-3-14-9(16-13(2)10(14)15)12-8-5-4-6-11-7-8/h4-7H,3H2,1-2H3/b12-9-
InChIKeySKLFEJQSUNHSGH-XFXZXTDPSA-N
XLogP2.26
TPSA35.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_5A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-pyridin-3-ylimino-1,2,4-thiadiazolidine-3-thione?
The IUPAC name of 4-ethyl-2-methyl-5-pyridin-3-ylimino-1,2,4-thiadiazolidine-3-thione (CID 6539152) is 4-ethyl-2-methyl-5-pyridin-3-ylimino-1,2,4-thiadiazolidine-3-thione.
What is the SMILES notation for 4-ethyl-2-methyl-5-pyridin-3-ylimino-1,2,4-thiadiazolidine-3-thione?
The canonical SMILES for 4-ethyl-2-methyl-5-pyridin-3-ylimino-1,2,4-thiadiazolidine-3-thione is CCn1c(=S)n(C)s/c1=N\c1cccnc1.
What is the InChIKey of 4-ethyl-2-methyl-5-pyridin-3-ylimino-1,2,4-thiadiazolidine-3-thione?
The InChIKey is SKLFEJQSUNHSGH-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H12N4S2/c1-3-14-9(16-13(2)10(14)15)12-8-5-4-6-11-7-8/h4-7H,3H2,1-2H3/b12-9-.
What are the key properties of 4-ethyl-2-methyl-5-pyridin-3-ylimino-1,2,4-thiadiazolidine-3-thione?
4-ethyl-2-methyl-5-pyridin-3-ylimino-1,2,4-thiadiazolidine-3-thione has a molecular weight of 252.37 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-pyridin-3-ylimino-1,2,4-thiadiazolidine-3-thione is sourced from PubChem (CID 6539152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).