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CAS 2289-75-0 4,5-DIMETHYL-1,3-THIAZOL-2-AMINE molecular structure lightbox
CAS RN: 2289-75-0

4,5-DIMETHYL-1,3-THIAZOL-2-AMINE

  • Product code: SSC-111413
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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: 25g
  • 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 2289-75-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

2289-75-0 / 4,5-dimethyl-1,3-thiazol-2-amine

Standard CAS: 2289-75-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2289-75-0
Multi CAS
No
Molecular Formula
C5H8N2S
Molecular Weight
128.200000
Exact Mass
128.040819
SMILES
CC1=C(SC(=N1)N)C
InChI
InChI=1S/C5H8N2S/c1-3-4(2)8-5(6)7-3/h1-2H3,(H2,6,7)
InChIKey
XMXLBDNVSIHRRA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36
TPSA
38.91

LogP / Solubility

WLOGP
1.34
MLOGP
1.17
XLogP3
1.4
Consensus LogP
1.3
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-2.55

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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