4-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]-1,2,4-triazolidine-3,5-dithione

C7H7N5S3 — CID 9295625

IUPAC4-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]-1,2,4-triazolidine-3,5-dithione
SMILESCc1nc(/C=N\n2c(=S)[nH][nH]c2=S)cs1
InChIInChI=1S/C7H7N5S3/c1-4-9-5(3-15-4)2-8-12-6(13)10-11-7(12)14/h2-3H,1H3,(H,10,13)(H,11,14)/b8-2-
InChIKeyMHMMCDHDWUGVQO-WAPJZHGLSA-N
MW257.37 g/mol
LogP2.25
Rot. Bonds2

About 4-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]-1,2,4-triazolidine-3,5-dithione

4-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]-1,2,4-triazolidine-3,5-dithione (PubChem CID 9295625) has the molecular formula C7H7N5S3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 4-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]-1,2,4-triazolidine-3,5-dithione.

Molecular Properties

Compound Name4-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]-1,2,4-triazolidine-3,5-dithione
PubChem CID9295625
Molecular FormulaC7H7N5S3
Molecular Weight257.37 g/mol
Exact Mass256.99
IUPAC Name4-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]-1,2,4-triazolidine-3,5-dithione
SMILESCc1nc(/C=N\n2c(=S)[nH][nH]c2=S)cs1
InChIInChI=1S/C7H7N5S3/c1-4-9-5(3-15-4)2-8-12-6(13)10-11-7(12)14/h2-3H,1H3,(H,10,13)(H,11,14)/b8-2-
InChIKeyMHMMCDHDWUGVQO-WAPJZHGLSA-N
XLogP2.25
TPSA61.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]-1,2,4-triazolidine-3,5-dithione?
The IUPAC name of 4-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]-1,2,4-triazolidine-3,5-dithione (CID 9295625) is 4-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]-1,2,4-triazolidine-3,5-dithione.
What is the SMILES notation for 4-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]-1,2,4-triazolidine-3,5-dithione?
The canonical SMILES for 4-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]-1,2,4-triazolidine-3,5-dithione is Cc1nc(/C=N\n2c(=S)[nH][nH]c2=S)cs1.
What is the InChIKey of 4-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]-1,2,4-triazolidine-3,5-dithione?
The InChIKey is MHMMCDHDWUGVQO-WAPJZHGLSA-N. The full InChI is InChI=1S/C7H7N5S3/c1-4-9-5(3-15-4)2-8-12-6(13)10-11-7(12)14/h2-3H,1H3,(H,10,13)(H,11,14)/b8-2-.
What are the key properties of 4-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]-1,2,4-triazolidine-3,5-dithione?
4-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]-1,2,4-triazolidine-3,5-dithione has a molecular weight of 257.37 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]-1,2,4-triazolidine-3,5-dithione is sourced from PubChem (CID 9295625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).