CAS RN: 1185306-90-4
4-(trideuteriomethyl)-1,3-thiazol-2-amine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260101 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1185306-90-4
- Purity/Analytical Methods: >99.0%
1185306-90-4 / 4-(trideuteriomethyl)-1,3-thiazol-2-amine
4-(trideuteriomethyl)-1,3-thiazol-2-amine | RefChem:517057 | 818-067-7
Basic Information
CAS
1185306-90-4
Multi CAS
No
Molecular Formula
C4H6N2S
Molecular Weight
117.190000
Exact Mass
117.044000
SMILES
[2H]C([2H])([2H])C1=CSC(=N1)N
InChI
InChI=1S/C4H6N2S/c1-3-2-7-4(5)6-3/h2H,1H3,(H2,5,6)/i1D3
InChIKey
OUQMXTJYCAJLGO-FIBGUPNXSA-N
Synonyms
4-(trideuteriomethyl)-1,3-thiazol-2-amine
RefChem:517057
818-067-7
4-(METHYL-D3)THIAZOL-2-AMINE
4-(2H3)methyl-1,3-thiazol-2-amine
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.26
TPSA
38.91
LogP / Solubility
WLOGP
1.03
MLOGP
0.9
XLogP3
1
Consensus LogP
0.98
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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