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CAS 59134-92-8 2,2,2-Trifluoro-N-4-thiazolyl-acetamide molecular structure lightbox
CAS RN: 59134-92-8

2,2,2-Trifluoro-N-4-thiazolyl-acetamide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250417 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS59134-92-8
  • Purity/Analytical Methods: >99.0%
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59134-92-8 / 2,2,2-trifluoro-N-(1,3-thiazol-4-yl)acetamide

Standard CAS: 59134-92-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59134-92-8
Multi CAS
No
Molecular Formula
C5F3H3N2OS
Molecular Weight
196.150000
Exact Mass
195.991818
InChI
InChI=1S/C5H3F3N2OS/c6-5(7,8)4(11)10-3-1-12-2-9-3/h1-2H,(H,10,11)
InChIKey
SHLAEVGWZIFJCZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.8
TPSA
41.99

LogP / Solubility

WLOGP
1.64
MLOGP
1.45
XLogP3
1.6
Consensus LogP
1.56
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately 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)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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