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CAS 162277-86-3 N-[[5-(2-AMINO-1,3-THIAZOL-4-YL)THIEN-2-YL]METHYL]ACETAMIDE molecular structure lightbox
CAS RN: 162277-86-3

N-[[5-(2-AMINO-1,3-THIAZOL-4-YL)THIEN-2-YL]METHYL]ACETAMIDE

  • Product code: SSC-069816
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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 162277-86-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

162277-86-3 / N-[[5-(2-amino-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide

Standard CAS: 162277-86-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
162277-86-3
Multi CAS
No
Molecular Formula
C10H11N3OS2
Molecular Weight
253.300000
Exact Mass
253.034354
SMILES
CC(=O)NCC1=CC=C(S1)C2=CSC(=N2)N
InChI
InChI=1S/C10H11N3OS2/c1-6(14)12-4-7-2-3-9(16-7)8-5-15-10(11)13-8/h2-3,5H,4H2,1H3,(H2,11,13)(H,12,14)
InChIKey
LZIBDLQALINWRY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
67.36
TPSA
68.01

LogP / Solubility

WLOGP
2.09
MLOGP
1.85
XLogP3
1.1
Consensus LogP
1.68
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

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

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