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

C12H16N4OS2 — CID 82435615

IUPAC5-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCC(C)c1nc(N2CCCC2)sc1-c1n[nH]c(=S)o1
InChIInChI=1S/C12H16N4OS2/c1-7(2)8-9(10-14-15-12(18)17-10)19-11(13-8)16-5-3-4-6-16/h7H,3-6H2,1-2H3,(H,15,18)
InChIKeyVIVHIKQWVIVZCZ-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.58
Rot. Bonds3

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

5-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 82435615) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 5-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID82435615
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC Name5-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCC(C)c1nc(N2CCCC2)sc1-c1n[nH]c(=S)o1
InChIInChI=1S/C12H16N4OS2/c1-7(2)8-9(10-14-15-12(18)17-10)19-11(13-8)16-5-3-4-6-16/h7H,3-6H2,1-2H3,(H,15,18)
InChIKeyVIVHIKQWVIVZCZ-UHFFFAOYSA-N
XLogP3.58
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82427880
5-[4-(methoxymethyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82441844
5-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82434754
5-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82435161
5-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82427937
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
2-(azepan-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79393406
5-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82426632
5-(2-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82514655
piperazin-1-yl-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone
CID 82435601
N-[(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435595

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione (CID 82435615) is 5-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione is CC(C)c1nc(N2CCCC2)sc1-c1n[nH]c(=S)o1.
What is the InChIKey of 5-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is VIVHIKQWVIVZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-7(2)8-9(10-14-15-12(18)17-10)19-11(13-8)16-5-3-4-6-16/h7H,3-6H2,1-2H3,(H,15,18).
What are the key properties of 5-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
5-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 296.42 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 82435615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).