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CAS 1247776-86-8 (2-Cyclopropylthiazol-5-yl)methanamine molecular structure lightbox
CAS RN: 1247776-86-8

(2-Cyclopropylthiazol-5-yl)methanamine

  • Product code: SSC-028994
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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: 0.25g, 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 1247776-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1247776-86-8 / (2-cyclopropyl-1,3-thiazol-5-yl)methanamine

Standard CAS: 1247776-86-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1247776-86-8
Multi CAS
No
Molecular Formula
C7H10N2S
Molecular Weight
154.240000
Exact Mass
154.056470
SMILES
C1CC1C2=NC=C(S2)CN
InChI
InChI=1S/C7H10N2S/c8-3-6-4-9-7(10-6)5-1-2-5/h4-5H,1-3,8H2
InChIKey
CFGIVYIJIXFTCE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.98
TPSA
38.91

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
0.4
Consensus LogP
1.06
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-2.61

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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