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

C23H34N4S2 — CID 25178144

IUPAC5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(2-adamantyl)-N-cyclohexylcarbamimidothioate
SMILESC1=C(CS/C(=N\C2C3CC4CC(C3)CC2C4)NC2CCCCC2)N2CCN=C2S1
InChIInChI=1S/C23H34N4S2/c1-2-4-19(5-3-1)25-22(28-13-20-14-29-23-24-6-7-27(20)23)26-21-17-9-15-8-16(11-17)12-18(21)10-15/h14-19,21H,1-13H2,(H,25,26)
InChIKeyFLOCMOFUMUFEEN-UHFFFAOYSA-N
MW430.69 g/mol
LogP5.08
Rot. Bonds4

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

5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(2-adamantyl)-N-cyclohexylcarbamimidothioate (PubChem CID 25178144) has the molecular formula C23H34N4S2 and a molecular weight of 430.69 g/mol. Its IUPAC name is 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(2-adamantyl)-N-cyclohexylcarbamimidothioate.

Molecular Properties

Compound Name5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(2-adamantyl)-N-cyclohexylcarbamimidothioate
PubChem CID25178144
Molecular FormulaC23H34N4S2
Molecular Weight430.69 g/mol
Exact Mass430.22
IUPAC Name5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(2-adamantyl)-N-cyclohexylcarbamimidothioate
SMILESC1=C(CS/C(=N\C2C3CC4CC(C3)CC2C4)NC2CCCCC2)N2CCN=C2S1
InChIInChI=1S/C23H34N4S2/c1-2-4-19(5-3-1)25-22(28-13-20-14-29-23-24-6-7-27(20)23)26-21-17-9-15-8-16(11-17)12-18(21)10-15/h14-19,21H,1-13H2,(H,25,26)
InChIKeyFLOCMOFUMUFEEN-UHFFFAOYSA-N
XLogP5.08
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.69
LogP ≤ 55.08
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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Related Compounds

1-(4-Tert-butylcyclohexyl)-3-cyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea
CID 25178569
5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(1-adamantyl)-N-cyclohexylcarbamimidothioate
CID 176518243
1-Adamantan-1-yl-3-cyclohexyl-2-(5,6-dihydro-imidazo[2,1-b]thiazol-3-ylmethyl)-isothiourea
CID 25178142
5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-(4-tert-butylcyclohexyl)-N'-cyclohexylcarbamimidothioate
CID 176519255
5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-(1-adamantyl)-N'-cyclohexylcarbamimidothioate;dihydrochloride
CID 25178141
5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-(2-adamantyl)-N'-cyclohexylcarbamimidothioate;dihydrochloride
CID 135856975

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(2-adamantyl)-N-cyclohexylcarbamimidothioate?
The IUPAC name of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(2-adamantyl)-N-cyclohexylcarbamimidothioate (CID 25178144) is 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(2-adamantyl)-N-cyclohexylcarbamimidothioate.
What is the SMILES notation for 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(2-adamantyl)-N-cyclohexylcarbamimidothioate?
The canonical SMILES for 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(2-adamantyl)-N-cyclohexylcarbamimidothioate is C1=C(CS/C(=N\C2C3CC4CC(C3)CC2C4)NC2CCCCC2)N2CCN=C2S1.
What is the InChIKey of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(2-adamantyl)-N-cyclohexylcarbamimidothioate?
The InChIKey is FLOCMOFUMUFEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4S2/c1-2-4-19(5-3-1)25-22(28-13-20-14-29-23-24-6-7-27(20)23)26-21-17-9-15-8-16(11-17)12-18(21)10-15/h14-19,21H,1-13H2,(H,25,26).
What are the key properties of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(2-adamantyl)-N-cyclohexylcarbamimidothioate?
5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(2-adamantyl)-N-cyclohexylcarbamimidothioate has a molecular weight of 430.69 g/mol, XLogP of 5.08, 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'-(2-adamantyl)-N-cyclohexylcarbamimidothioate is sourced from PubChem (CID 25178144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).