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

C20H32N4S2 — CID 25178138

IUPAC5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-cycloheptyl-N-cyclohexylcarbamimidothioate
SMILESC1=C(CS/C(=N\C2CCCCCC2)NC2CCCCC2)N2CCN=C2S1
InChIInChI=1S/C20H32N4S2/c1-2-5-9-16(8-4-1)22-19(23-17-10-6-3-7-11-17)25-14-18-15-26-20-21-12-13-24(18)20/h15-17H,1-14H2,(H,22,23)
InChIKeyVJAJZCNSLLUQCP-UHFFFAOYSA-N
MW392.64 g/mol
LogP4.98
Rot. Bonds4

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

5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-cycloheptyl-N-cyclohexylcarbamimidothioate (PubChem CID 25178138) has the molecular formula C20H32N4S2 and a molecular weight of 392.64 g/mol. Its IUPAC name is 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-cycloheptyl-N-cyclohexylcarbamimidothioate.

Molecular Properties

Compound Name5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-cycloheptyl-N-cyclohexylcarbamimidothioate
PubChem CID25178138
Molecular FormulaC20H32N4S2
Molecular Weight392.64 g/mol
Exact Mass392.21
IUPAC Name5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-cycloheptyl-N-cyclohexylcarbamimidothioate
SMILESC1=C(CS/C(=N\C2CCCCCC2)NC2CCCCC2)N2CCN=C2S1
InChIInChI=1S/C20H32N4S2/c1-2-5-9-16(8-4-1)22-19(23-17-10-6-3-7-11-17)25-14-18-15-26-20-21-12-13-24(18)20/h15-17H,1-14H2,(H,22,23)
InChIKeyVJAJZCNSLLUQCP-UHFFFAOYSA-N
XLogP4.98
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.64
LogP ≤ 54.98
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'-cycloheptyl-N-cyclohexylcarbamimidothioate?
The IUPAC name of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-cycloheptyl-N-cyclohexylcarbamimidothioate (CID 25178138) is 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-cycloheptyl-N-cyclohexylcarbamimidothioate.
What is the SMILES notation for 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-cycloheptyl-N-cyclohexylcarbamimidothioate?
The canonical SMILES for 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-cycloheptyl-N-cyclohexylcarbamimidothioate is C1=C(CS/C(=N\C2CCCCCC2)NC2CCCCC2)N2CCN=C2S1.
What is the InChIKey of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-cycloheptyl-N-cyclohexylcarbamimidothioate?
The InChIKey is VJAJZCNSLLUQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4S2/c1-2-5-9-16(8-4-1)22-19(23-17-10-6-3-7-11-17)25-14-18-15-26-20-21-12-13-24(18)20/h15-17H,1-14H2,(H,22,23).
What are the key properties of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-cycloheptyl-N-cyclohexylcarbamimidothioate?
5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-cycloheptyl-N-cyclohexylcarbamimidothioate has a molecular weight of 392.64 g/mol, XLogP of 4.98, 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'-cycloheptyl-N-cyclohexylcarbamimidothioate is sourced from PubChem (CID 25178138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).