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

C11H14N4O2S2 — CID 82441844

IUPAC5-[4-(methoxymethyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCOCc1nc(N2CCCC2)sc1-c1n[nH]c(=S)o1
InChIInChI=1S/C11H14N4O2S2/c1-16-6-7-8(9-13-14-11(18)17-9)19-10(12-7)15-4-2-3-5-15/h2-6H2,1H3,(H,14,18)
InChIKeyPFWVUIQDXVJVNR-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.60
Rot. Bonds4

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

5-[4-(methoxymethyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (PubChem CID 82441844) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-[4-(methoxymethyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-[4-(methoxymethyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
PubChem CID82441844
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name5-[4-(methoxymethyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCOCc1nc(N2CCCC2)sc1-c1n[nH]c(=S)o1
InChIInChI=1S/C11H14N4O2S2/c1-16-6-7-8(9-13-14-11(18)17-9)19-10(12-7)15-4-2-3-5-15/h2-6H2,1H3,(H,14,18)
InChIKeyPFWVUIQDXVJVNR-UHFFFAOYSA-N
XLogP2.60
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82435615
5-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82427937
5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82427369
5-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82435161
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-tert-butyl-4-propyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82432361
N-[[4-(methoxymethyl)-2-piperidin-1-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366314
5-[4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82429377
5-[2-(ethylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82432111
4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazole-5-carbaldehyde
CID 107509111

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-[4-(methoxymethyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (CID 82441844) is 5-[4-(methoxymethyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-[4-(methoxymethyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-[4-(methoxymethyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is COCc1nc(N2CCCC2)sc1-c1n[nH]c(=S)o1.
What is the InChIKey of 5-[4-(methoxymethyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is PFWVUIQDXVJVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-16-6-7-8(9-13-14-11(18)17-9)19-10(12-7)15-4-2-3-5-15/h2-6H2,1H3,(H,14,18).
What are the key properties of 5-[4-(methoxymethyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
5-[4-(methoxymethyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 298.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methoxymethyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 82441844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).