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

C10H12N4OS2 — CID 82427880

IUPAC5-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCc1nc(N2CCCC2)sc1-c1n[nH]c(=S)o1
InChIInChI=1S/C10H12N4OS2/c1-6-7(8-12-13-10(16)15-8)17-9(11-6)14-4-2-3-5-14/h2-5H2,1H3,(H,13,16)
InChIKeyQGAQJNQIJLDQIR-UHFFFAOYSA-N
MW268.37 g/mol
LogP2.76
Rot. Bonds2

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

5-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 82427880) has the molecular formula C10H12N4OS2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 5-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID82427880
Molecular FormulaC10H12N4OS2
Molecular Weight268.37 g/mol
Exact Mass268.05
IUPAC Name5-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCc1nc(N2CCCC2)sc1-c1n[nH]c(=S)o1
InChIInChI=1S/C10H12N4OS2/c1-6-7(8-12-13-10(16)15-8)17-9(11-6)14-4-2-3-5-14/h2-5H2,1H3,(H,13,16)
InChIKeyQGAQJNQIJLDQIR-UHFFFAOYSA-N
XLogP2.76
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

5-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82427937
5-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82435615
5-[4-(methoxymethyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82441844
5-[2-(azepan-1-yl)-1,3-thiazol-4-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82514809
5-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82438115
5-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82428026
5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82427369
5-[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82425807
2-(azepan-1-yl)-5-bromo-4-methyl-1,3-thiazole
CID 83558280
1-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62752785
5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole
CID 82427860
2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine
CID 82427864

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione (CID 82427880) is 5-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione is Cc1nc(N2CCCC2)sc1-c1n[nH]c(=S)o1.
What is the InChIKey of 5-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is QGAQJNQIJLDQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS2/c1-6-7(8-12-13-10(16)15-8)17-9(11-6)14-4-2-3-5-14/h2-5H2,1H3,(H,13,16).
What are the key properties of 5-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
5-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 268.37 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 82427880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).