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CAS 885279-02-7 1-THIAZOL-4-YL-ETHYLAMINE molecular structure lightbox
CAS RN: 885279-02-7

1-THIAZOL-4-YL-ETHYLAMINE

  • Product code: SSC-199411
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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 885279-02-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

885279-02-7 / 1-(1,3-thiazol-4-yl)ethanamine

Standard CAS: 885279-02-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885279-02-7
Multi CAS
No
Molecular Formula
C5H8N2S
Molecular Weight
128.200000
Exact Mass
128.040819
InChI
InChI=1S/C5H8N2S/c1-4(6)5-2-8-3-7-5/h2-4H,6H2,1H3
InChIKey
QNBSQSRLKMIEAH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.72
TPSA
38.91

LogP / Solubility

WLOGP
1.16
MLOGP
1.01
XLogP3
0.2
Consensus LogP
0.79
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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