![CAS 1092776-63-0 CarbaMiMidothioic acid, N,N’-dicyclohexyl-, (5,6-dihydro-6,6-diMethyliMidazo[2,1-b]thiazol-3-yl)Methyl ester, hydrochloride (1:2) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42705990.gif)
CAS RN: 1092776-63-0
CarbaMiMidothioic acid, N,N’-dicyclohexyl-, (5,6-dihydro-6,6-diMethyliMidazo[2,1-b]thiazol-3-yl)Methyl ester, hydrochloride (1:2)
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250527 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1092776-63-0
- Purity/Analytical Methods: >99.0%
1092776-63-0 / (6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylcarbamimidothioate;dihydrochloride
IT1t dihydrochloride | IT1t (dihydrochloride) | (6,6-Dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl N,N'-dicyclohexylcarbamimidothioate dihydrochloride
Basic Information
CAS
1092776-63-0
Multi CAS
Yes
Molecular Formula
C21H36Cl2N4S2
Molecular Weight
479.600000
Exact Mass
478.175845
SMILES
CC1(CN2C(=CSC2=N1)CSC(=NC3CCCCC3)NC4CCCCC4)C.Cl.Cl
InChI
InChI=1S/C21H34N4S2.2ClH/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17;;/h14,16-17H,3-13,15H2,1-2H3,(H,22,23);2*1H
InChIKey
HFXJOXOIINQOEB-UHFFFAOYSA-N
Synonyms
IT1t dihydrochloride
IT1t (dihydrochloride)
(6,6-Dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl N,N'-dicyclohexylcarbamimidothioate dihydrochloride
CarbaMiMidothioic acid, N,N'-dicyclohexyl-, (5,6-dihydro-6,6-diMethyliMidazo[2,1-b]thiazol-3-yl)Methyl ester, hydrochloride (1
(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylcarbamimidothioate;dihydrochloride
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.81
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
135.16
TPSA
39.99
LogP / Solubility
WLOGP
6.21
MLOGP
5.5
XLogP3
6.21
Consensus LogP
5.97
Log S (ESOL)
-6.46
Class (ESOL)
Insoluble
Log S (Ali)
-7.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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