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CAS 1314950-78-1 N-[5-(hydroxymethyl)-2-thiazolyl]acetamide molecular structure lightbox
CAS RN: 1314950-78-1

N-[5-(hydroxymethyl)-2-thiazolyl]acetamide

  • Product code: SSC-038575
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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 1314950-78-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1314950-78-1 / N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide

Standard CAS: 1314950-78-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1314950-78-1
Multi CAS
No
Molecular Formula
C6H8N2O2S
Molecular Weight
172.210000
Exact Mass
172.030649
SMILES
CC(=O)NC1=NC=C(S1)CO
InChI
InChI=1S/C6H8N2O2S/c1-4(10)8-6-7-2-5(3-9)11-6/h2,9H,3H2,1H3,(H,7,8,10)
InChIKey
JLUBQXZJDNTDRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
42.34
TPSA
62.22

LogP / Solubility

WLOGP
0.59
MLOGP
0.52
XLogP3
-0.4
Consensus LogP
0.24
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-3.35

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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