5-[4-methyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione

C10H13N3OS3 — CID 82426401

IUPAC5-[4-methyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCCCSCc1nc(C)c(-c2n[nH]c(=S)o2)s1
InChIInChI=1S/C10H13N3OS3/c1-3-4-16-5-7-11-6(2)8(17-7)9-12-13-10(15)14-9/h3-5H2,1-2H3,(H,13,15)
InChIKeyQBEXBGIDYCLENW-UHFFFAOYSA-N
MW287.44 g/mol
LogP3.81
Rot. Bonds5

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

5-[4-methyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (PubChem CID 82426401) has the molecular formula C10H13N3OS3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 5-[4-methyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-[4-methyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
PubChem CID82426401
Molecular FormulaC10H13N3OS3
Molecular Weight287.44 g/mol
Exact Mass287.02
IUPAC Name5-[4-methyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCCCSCc1nc(C)c(-c2n[nH]c(=S)o2)s1
InChIInChI=1S/C10H13N3OS3/c1-3-4-16-5-7-11-6(2)8(17-7)9-12-13-10(15)14-9/h3-5H2,1-2H3,(H,13,15)
InChIKeyQBEXBGIDYCLENW-UHFFFAOYSA-N
XLogP3.81
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[4-methyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-[4-methyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (CID 82426401) is 5-[4-methyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-[4-methyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-[4-methyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is CCCSCc1nc(C)c(-c2n[nH]c(=S)o2)s1.
What is the InChIKey of 5-[4-methyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is QBEXBGIDYCLENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS3/c1-3-4-16-5-7-11-6(2)8(17-7)9-12-13-10(15)14-9/h3-5H2,1-2H3,(H,13,15).
What are the key properties of 5-[4-methyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
5-[4-methyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 287.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 82426401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).