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CAS 25468-22-8 5-(3-Pyridyl)-1,3,4-thiadiazol-2-amine molecular structure lightbox
CAS RN: 25468-22-8

5-(3-Pyridyl)-1,3,4-thiadiazol-2-amine

  • Product code: SSC-121426
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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: 5g
  • 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 25468-22-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

25468-22-8 / 5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

Standard CAS: 25468-22-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25468-22-8
Multi CAS
No
Molecular Formula
C7H6N4S
Molecular Weight
178.220000
Exact Mass
178.031317
SMILES
C1=CC=NC(=C1)C2=NN=C(S2)N
InChI
InChI=1S/C7H6N4S/c8-7-11-10-6(12-7)5-3-1-2-4-9-5/h1-4H,(H2,8,11)
InChIKey
XRSWPYZJJLNMNK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
47.55
TPSA
64.69

LogP / Solubility

WLOGP
1.18
MLOGP
1.04
XLogP3
0.6
Consensus LogP
0.94
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-2.97

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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