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CAS 1089704-57-3 thiazolo[5,4-b]pyridine-2-carboxaMide molecular structure lightbox
CAS RN: 1089704-57-3

thiazolo[5,4-b]pyridine-2-carboxaMide

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250630 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1089704-57-3
  • Purity/Analytical Methods: >99.0%
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1089704-57-3 / ethyl [1,3]thiazolo[5,4-b]pyridine-2-carboxylate

ethyl [1,3]thiazolo[5,4-b]pyridine-2-carboxylate | Ethyl (1,3)thiazolo(5,4-b)pyridine-2-carboxylate | RefChem:592872

Standard CAS: 1089704-57-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1089704-57-3
Multi CAS
No
Molecular Formula
C9H8N2O2S
Molecular Weight
208.240000
Exact Mass
208.030649
SMILES
CCOC(=O)C1=NC2=C(S1)N=CC=C2
InChI
InChI=1S/C9H8N2O2S/c1-2-13-9(12)8-11-6-4-3-5-10-7(6)14-8/h3-5H,2H2,1H3
InChIKey
WPHYGZDNIVMAAK-UHFFFAOYSA-N
Synonyms
ethyl [1,3]thiazolo[5,4-b]pyridine-2-carboxylate Ethyl (1,3)thiazolo(5,4-b)pyridine-2-carboxylate RefChem:592872 874-259-0 Ethyl thiazolo[5,4-b]pyridine-2-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
53.37
TPSA
52.08

LogP / Solubility

WLOGP
1.87
MLOGP
1.64
XLogP3
2.2
Consensus LogP
1.9
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
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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