5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(4-tert-butylcyclohexyl)-N-cyclohexylcarbamimidothioate;dihydrochloride

C23H40Cl2N4S2 — CID 25178568

IUPAC5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(4-tert-butylcyclohexyl)-N-cyclohexylcarbamimidothioate;dihydrochloride
SMILESCC(C)(C)C1CCC(/N=C(/NC2CCCCC2)SCC2=CSC3=NCCN23)CC1.Cl.Cl
InChIInChI=1S/C23H38N4S2.2ClH/c1-23(2,3)17-9-11-19(12-10-17)26-21(25-18-7-5-4-6-8-18)28-15-20-16-29-22-24-13-14-27(20)22;;/h16-19H,4-15H2,1-3H3,(H,25,26);2*1H
InChIKeyPBSIDRNUUZIGIT-UHFFFAOYSA-N
MW507.64 g/mol
LogP6.71
Rot. Bonds4

About 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(4-tert-butylcyclohexyl)-N-cyclohexylcarbamimidothioate;dihydrochloride

5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(4-tert-butylcyclohexyl)-N-cyclohexylcarbamimidothioate;dihydrochloride (PubChem CID 25178568) has the molecular formula C23H40Cl2N4S2 and a molecular weight of 507.64 g/mol. Its IUPAC name is 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(4-tert-butylcyclohexyl)-N-cyclohexylcarbamimidothioate;dihydrochloride.

Molecular Properties

Compound Name5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(4-tert-butylcyclohexyl)-N-cyclohexylcarbamimidothioate;dihydrochloride
PubChem CID25178568
Molecular FormulaC23H40Cl2N4S2
Molecular Weight507.64 g/mol
Exact Mass506.21
IUPAC Name5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(4-tert-butylcyclohexyl)-N-cyclohexylcarbamimidothioate;dihydrochloride
SMILESCC(C)(C)C1CCC(/N=C(/NC2CCCCC2)SCC2=CSC3=NCCN23)CC1.Cl.Cl
InChIInChI=1S/C23H38N4S2.2ClH/c1-23(2,3)17-9-11-19(12-10-17)26-21(25-18-7-5-4-6-8-18)28-15-20-16-29-22-24-13-14-27(20)22;;/h16-19H,4-15H2,1-3H3,(H,25,26);2*1H
InChIKeyPBSIDRNUUZIGIT-UHFFFAOYSA-N
XLogP6.71
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.64
LogP ≤ 56.71
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
IT1t dihydrochloride
CID 25178351
5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-(4-tert-butylcyclohexyl)-N'-cyclohexylcarbamimidothioate
CID 176519255
3-(1,4,4a,5,6,7,8,8a-octahydroquinazolin-2-ylsulfanylmethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole;dihydrochloride
CID 155166734
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'-(4-tert-butylcyclohexyl)-N-cyclohexylcarbamimidothioate;dihydrochloride?
The IUPAC name of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(4-tert-butylcyclohexyl)-N-cyclohexylcarbamimidothioate;dihydrochloride (CID 25178568) is 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(4-tert-butylcyclohexyl)-N-cyclohexylcarbamimidothioate;dihydrochloride.
What is the SMILES notation for 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(4-tert-butylcyclohexyl)-N-cyclohexylcarbamimidothioate;dihydrochloride?
The canonical SMILES for 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(4-tert-butylcyclohexyl)-N-cyclohexylcarbamimidothioate;dihydrochloride is CC(C)(C)C1CCC(/N=C(/NC2CCCCC2)SCC2=CSC3=NCCN23)CC1.Cl.Cl.
What is the InChIKey of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(4-tert-butylcyclohexyl)-N-cyclohexylcarbamimidothioate;dihydrochloride?
The InChIKey is PBSIDRNUUZIGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4S2.2ClH/c1-23(2,3)17-9-11-19(12-10-17)26-21(25-18-7-5-4-6-8-18)28-15-20-16-29-22-24-13-14-27(20)22;;/h16-19H,4-15H2,1-3H3,(H,25,26);2*1H.
What are the key properties of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(4-tert-butylcyclohexyl)-N-cyclohexylcarbamimidothioate;dihydrochloride?
5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(4-tert-butylcyclohexyl)-N-cyclohexylcarbamimidothioate;dihydrochloride has a molecular weight of 507.64 g/mol, XLogP of 6.71, 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'-(4-tert-butylcyclohexyl)-N-cyclohexylcarbamimidothioate;dihydrochloride is sourced from PubChem (CID 25178568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).