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CAS 53173-92-5 N-(4-(3-nitrophenyl)thiazol-2-yl)acetamide molecular structure lightbox
CAS RN: 53173-92-5

N-(4-(3-nitrophenyl)thiazol-2-yl)acetamide

  • Product code: SSC-160378
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 53173-92-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

53173-92-5 / N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide

Standard CAS: 53173-92-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53173-92-5
Multi CAS
No
Molecular Formula
C11H9N3O3S
Molecular Weight
263.270000
Exact Mass
263.036462
InChI
InChI=1S/C11H9N3O3S/c1-7(15)12-11-13-10(6-18-11)8-3-2-4-9(5-8)14(16)17/h2-6H,1H3,(H,12,13,15)
InChIKey
NHMXCJBTVGOSAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
68.51
TPSA
85.13

LogP / Solubility

WLOGP
2.68
MLOGP
2.36
XLogP3
2
Consensus LogP
2.35
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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