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CAS 118863-94-8 (5-AMINO-[1,3,4]THIADIAZOL-2-YL)-ACETIC ACID molecular structure lightbox
CAS RN: 118863-94-8

(5-AMINO-[1,3,4]THIADIAZOL-2-YL)-ACETIC ACID

  • Product code: SSC-019098
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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 118863-94-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

118863-94-8 / 2-(5-amino-1,3,4-thiadiazol-2-yl)acetic acid

2-(5-amino-1,3,4-thiadiazol-2-yl)acetic acid | (5-Amino-[1,3,4]thiadiazol-2-yl)-acetic acid | (5-amino-1,3,4-thiadiazol-2-yl)acetic acid

Standard CAS: 118863-94-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
118863-94-8
Multi CAS
Yes
Molecular Formula
C4H5N3O2S
Molecular Weight
159.170000
Exact Mass
159.010248
SMILES
C(C1=NN=C(S1)N)C(=O)O
InChI
InChI=1S/C4H5N3O2S/c5-4-7-6-2(10-4)1-3(8)9/h1H2,(H2,5,7)(H,8,9)
InChIKey
SJDNCVUWFRSPJC-UHFFFAOYSA-N
Synonyms
2-(5-amino-1,3,4-thiadiazol-2-yl)acetic acid (5-Amino-[1,3,4]thiadiazol-2-yl)-acetic acid (5-amino-1,3,4-thiadiazol-2-yl)acetic acid MFCD01346801 1,3,4-Thiadiazole-2-acetic acid, 5-amino-

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
35.66
TPSA
89.1

LogP / Solubility

WLOGP
-0.25
MLOGP
-0.23
XLogP3
-0.5
Consensus LogP
-0.33
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.87

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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