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CAS 436152-83-9 4-(2,5-DIMETHYL-THIOPHEN-3-YL)-THIAZOL-2-YLAMINE molecular structure lightbox
CAS RN: 436152-83-9

4-(2,5-DIMETHYL-THIOPHEN-3-YL)-THIAZOL-2-YLAMINE

  • Product code: SSC-151773
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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 436152-83-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

436152-83-9 / 4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-amine

Standard CAS: 436152-83-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
436152-83-9
Multi CAS
No
Molecular Formula
C9H10N2S2
Molecular Weight
210.300000
Exact Mass
210.028541
InChI
InChI=1S/C9H10N2S2/c1-5-3-7(6(2)13-5)8-4-12-9(10)11-8/h3-4H,1-2H3,(H2,10,11)
InChIKey
SKDWLGWJNNTNGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.31
TPSA
38.91

LogP / Solubility

WLOGP
3.07
MLOGP
2.7
XLogP3
2.7
Consensus LogP
2.82
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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