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

C18H28N4S2 — CID 25178140

IUPAC5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate
SMILESC1=C(CS/C(=N\C2CCCC2)NC2CCCCC2)N2CCN=C2S1
InChIInChI=1S/C18H28N4S2/c1-2-6-14(7-3-1)20-17(21-15-8-4-5-9-15)23-12-16-13-24-18-19-10-11-22(16)18/h13-15H,1-12H2,(H,20,21)
InChIKeyOGXGHWFUPAEKDX-UHFFFAOYSA-N
MW364.58 g/mol
LogP4.20
Rot. Bonds4

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

5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate (PubChem CID 25178140) has the molecular formula C18H28N4S2 and a molecular weight of 364.58 g/mol. Its IUPAC name is 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate.

Molecular Properties

Compound Name5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate
PubChem CID25178140
Molecular FormulaC18H28N4S2
Molecular Weight364.58 g/mol
Exact Mass364.18
IUPAC Name5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate
SMILESC1=C(CS/C(=N\C2CCCC2)NC2CCCCC2)N2CCN=C2S1
InChIInChI=1S/C18H28N4S2/c1-2-6-14(7-3-1)20-17(21-15-8-4-5-9-15)23-12-16-13-24-18-19-10-11-22(16)18/h13-15H,1-12H2,(H,20,21)
InChIKeyOGXGHWFUPAEKDX-UHFFFAOYSA-N
XLogP4.20
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.58
LogP ≤ 54.20
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'}

Analyze 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate 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 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate?
The IUPAC name of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate (CID 25178140) is 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate.
What is the SMILES notation for 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate?
The canonical SMILES for 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate is C1=C(CS/C(=N\C2CCCC2)NC2CCCCC2)N2CCN=C2S1.
What is the InChIKey of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate?
The InChIKey is OGXGHWFUPAEKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4S2/c1-2-6-14(7-3-1)20-17(21-15-8-4-5-9-15)23-12-16-13-24-18-19-10-11-22(16)18/h13-15H,1-12H2,(H,20,21).
What are the key properties of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate?
5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate has a molecular weight of 364.58 g/mol, XLogP of 4.20, 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-cyclohexyl-N'-cyclopentylcarbamimidothioate is sourced from PubChem (CID 25178140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).