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CAS 317830-81-2 1-(2-METHYL-THIAZOL-4-YL)-ETHYLAMINE molecular structure lightbox
CAS RN: 317830-81-2

1-(2-METHYL-THIAZOL-4-YL)-ETHYLAMINE

  • Product code: SSC-137215
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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 317830-81-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

317830-81-2 / 1-(2-methyl-1,3-thiazol-4-yl)ethanamine

Standard CAS: 317830-81-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
317830-81-2
Multi CAS
Yes
Molecular Formula
C6H10N2S
Molecular Weight
142.220000
Exact Mass
142.056470
InChI
InChI=1S/C6H10N2S/c1-4(7)6-3-9-5(2)8-6/h3-4H,7H2,1-2H3
InChIKey
IXVBHPYKGWVUDT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.45
TPSA
38.91

LogP / Solubility

WLOGP
1.47
MLOGP
1.29
XLogP3
0.6
Consensus LogP
1.12
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-2.54

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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