5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicyclopentylcarbamimidothioate

C17H26N4S2 — CID 25178134

IUPAC5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicyclopentylcarbamimidothioate
SMILESC1=C(CS/C(=N\C2CCCC2)NC2CCCC2)N2CCN=C2S1
InChIInChI=1S/C17H26N4S2/c1-2-6-13(5-1)19-16(20-14-7-3-4-8-14)22-11-15-12-23-17-18-9-10-21(15)17/h12-14H,1-11H2,(H,19,20)
InChIKeyMVAYOLUSHUJRDR-UHFFFAOYSA-N
MW350.56 g/mol
LogP3.81
Rot. Bonds4

About 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicyclopentylcarbamimidothioate

5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicyclopentylcarbamimidothioate (PubChem CID 25178134) has the molecular formula C17H26N4S2 and a molecular weight of 350.56 g/mol. Its IUPAC name is 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicyclopentylcarbamimidothioate.

Molecular Properties

Compound Name5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicyclopentylcarbamimidothioate
PubChem CID25178134
Molecular FormulaC17H26N4S2
Molecular Weight350.56 g/mol
Exact Mass350.16
IUPAC Name5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicyclopentylcarbamimidothioate
SMILESC1=C(CS/C(=N\C2CCCC2)NC2CCCC2)N2CCN=C2S1
InChIInChI=1S/C17H26N4S2/c1-2-6-13(5-1)19-16(20-14-7-3-4-8-14)22-11-15-12-23-17-18-9-10-21(15)17/h12-14H,1-11H2,(H,19,20)
InChIKeyMVAYOLUSHUJRDR-UHFFFAOYSA-N
XLogP3.81
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.56
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicyclopentylcarbamimidothioate?
The IUPAC name of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicyclopentylcarbamimidothioate (CID 25178134) is 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicyclopentylcarbamimidothioate.
What is the SMILES notation for 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicyclopentylcarbamimidothioate?
The canonical SMILES for 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicyclopentylcarbamimidothioate is C1=C(CS/C(=N\C2CCCC2)NC2CCCC2)N2CCN=C2S1.
What is the InChIKey of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicyclopentylcarbamimidothioate?
The InChIKey is MVAYOLUSHUJRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4S2/c1-2-6-13(5-1)19-16(20-14-7-3-4-8-14)22-11-15-12-23-17-18-9-10-21(15)17/h12-14H,1-11H2,(H,19,20).
What are the key properties of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicyclopentylcarbamimidothioate?
5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicyclopentylcarbamimidothioate has a molecular weight of 350.56 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicyclopentylcarbamimidothioate is sourced from PubChem (CID 25178134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).