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

C18H30Cl2N4S2 — CID 25178139

IUPAC5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate;dihydrochloride
SMILESC1=C(CS/C(=N\C2CCCC2)NC2CCCCC2)N2CCN=C2S1.Cl.Cl
InChIInChI=1S/C18H28N4S2.2ClH/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);2*1H
InChIKeyFZDOSKMKPHJHFQ-UHFFFAOYSA-N
MW437.51 g/mol
LogP5.04
Rot. Bonds4

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

5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate;dihydrochloride (PubChem CID 25178139) has the molecular formula C18H30Cl2N4S2 and a molecular weight of 437.51 g/mol. Its IUPAC name is 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate;dihydrochloride.

Molecular Properties

Compound Name5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate;dihydrochloride
PubChem CID25178139
Molecular FormulaC18H30Cl2N4S2
Molecular Weight437.51 g/mol
Exact Mass436.13
IUPAC Name5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate;dihydrochloride
SMILESC1=C(CS/C(=N\C2CCCC2)NC2CCCCC2)N2CCN=C2S1.Cl.Cl
InChIInChI=1S/C18H28N4S2.2ClH/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);2*1H
InChIKeyFZDOSKMKPHJHFQ-UHFFFAOYSA-N
XLogP5.04
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.51
LogP ≤ 55.04
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-cyclohexyl-N'-cyclopentylcarbamimidothioate;dihydrochloride?
The IUPAC name of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate;dihydrochloride (CID 25178139) is 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate;dihydrochloride.
What is the SMILES notation for 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate;dihydrochloride?
The canonical SMILES for 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate;dihydrochloride is C1=C(CS/C(=N\C2CCCC2)NC2CCCCC2)N2CCN=C2S1.Cl.Cl.
What is the InChIKey of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate;dihydrochloride?
The InChIKey is FZDOSKMKPHJHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4S2.2ClH/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);2*1H.
What are the key properties of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate;dihydrochloride?
5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-cyclopentylcarbamimidothioate;dihydrochloride has a molecular weight of 437.51 g/mol, XLogP of 5.04, 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;dihydrochloride is sourced from PubChem (CID 25178139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).