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CAS 122829-15-6 4-(3-pyrrolidinyl)-2-Thiazolamine molecular structure lightbox
CAS RN: 122829-15-6

4-(3-pyrrolidinyl)-2-Thiazolamine

  • Product code: SSC-026364
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 122829-15-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 5 In Stock Hong Kong Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry

122829-15-6 / 4-pyrrolidin-3-yl-1,3-thiazol-2-amine

Standard CAS: 122829-15-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122829-15-6
Multi CAS
No
Molecular Formula
C7H11N3S
Molecular Weight
169.250000
Exact Mass
169.067369
SMILES
C1CNCC1C2=CSC(=N2)N
InChI
InChI=1S/C7H11N3S/c8-7-10-6(4-11-7)5-1-2-9-3-5/h4-5,9H,1-3H2,(H2,8,10)
InChIKey
AZHGZDQCHFHOBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
46.75
TPSA
50.94

LogP / Solubility

WLOGP
0.8
MLOGP
0.7
XLogP3
0.4
Consensus LogP
0.63
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-3.18

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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