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CAS 68787-52-0 5-PYRIDIN-3-YL-[1,3,4]THIADIAZOL-2-YLAMINE molecular structure lightbox
CAS RN: 68787-52-0

5-PYRIDIN-3-YL-[1,3,4]THIADIAZOL-2-YLAMINE

  • Product code: SSC-178465
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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 68787-52-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

68787-52-0 / 5-pyridin-3-yl-1,3,4-thiadiazol-2-amine

Standard CAS: 68787-52-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
68787-52-0
Multi CAS
No
Molecular Formula
C7H6N4S
Molecular Weight
178.220000
Exact Mass
178.031317
InChI
InChI=1S/C7H6N4S/c8-7-11-10-6(12-7)5-2-1-3-9-4-5/h1-4H,(H2,8,11)
InChIKey
MCYHQUZTYSVDHW-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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