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CAS 112342-71-9 Thiazolo[4,5-b]pyrazin-2-amine molecular structure lightbox
CAS RN: 112342-71-9

Thiazolo[4,5-b]pyrazin-2-amine

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250830 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS112342-71-9
  • Purity/Analytical Methods: >99.0%
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112342-71-9 / [1,3]thiazolo[4,5-b]pyrazin-2-amine

[1,3]thiazolo[4,5-b]pyrazin-2-amine | (1,3)thiazolo(4,5-b)pyrazin-2-amine | RefChem:391311

Standard CAS: 112342-71-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
112342-71-9
Multi CAS
No
Molecular Formula
C5H4N4S
Molecular Weight
152.180000
Exact Mass
152.015667
SMILES
C1=CN=C2C(=N1)N=C(S2)N
InChI
InChI=1S/C5H4N4S/c6-5-9-3-4(10-5)8-2-1-7-3/h1-2H,(H2,6,7,9)
InChIKey
IGXMPTMLSAOJBY-UHFFFAOYSA-N
Synonyms
[1,3]thiazolo[4,5-b]pyrazin-2-amine (1,3)thiazolo(4,5-b)pyrazin-2-amine RefChem:391311 861-607-1 Thiazolo[4,5-b]pyrazin-2-amine

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
5
H-bond donors
1
Molar refractivity
39.62
TPSA
64.69

LogP / Solubility

WLOGP
0.67
MLOGP
0.58
XLogP3
0.6
Consensus LogP
0.62
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
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)
-3.17

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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