5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione

C9H11N3OS2 — CID 82425789

IUPAC5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCCCc1nc(C)c(-c2n[nH]c(=S)o2)s1
InChIInChI=1S/C9H11N3OS2/c1-3-4-6-10-5(2)7(15-6)8-11-12-9(14)13-8/h3-4H2,1-2H3,(H,12,14)
InChIKeyRUGMLBBWAGWBJH-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.12
Rot. Bonds3

About 5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione

5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 82425789) has the molecular formula C9H11N3OS2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID82425789
Molecular FormulaC9H11N3OS2
Molecular Weight241.34 g/mol
Exact Mass241.03
IUPAC Name5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCCCc1nc(C)c(-c2n[nH]c(=S)o2)s1
InChIInChI=1S/C9H11N3OS2/c1-3-4-6-10-5(2)7(15-6)8-11-12-9(14)13-8/h3-4H2,1-2H3,(H,12,14)
InChIKeyRUGMLBBWAGWBJH-UHFFFAOYSA-N
XLogP3.12
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione (CID 82425789) is 5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione is CCCc1nc(C)c(-c2n[nH]c(=S)o2)s1.
What is the InChIKey of 5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is RUGMLBBWAGWBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS2/c1-3-4-6-10-5(2)7(15-6)8-11-12-9(14)13-8/h3-4H2,1-2H3,(H,12,14).
What are the key properties of 5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 241.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 82425789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).