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CAS 1363381-19-4 Methyl 5-aminothiazole-2-carboxylate molecular structure lightbox
CAS RN: 1363381-19-4

Methyl 5-aminothiazole-2-carboxylate

  • Product code: SSC-045312
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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
  • 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 1363381-19-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1363381-19-4 / methyl 5-amino-1,3-thiazole-2-carboxylate

Standard CAS: 1363381-19-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363381-19-4
Multi CAS
No
Molecular Formula
C5H6N2O2S
Molecular Weight
158.180000
Exact Mass
158.014999
SMILES
COC(=O)C1=NC=C(S1)N
InChI
InChI=1S/C5H6N2O2S/c1-9-5(8)4-7-2-3(6)10-4/h2H,6H2,1H3
InChIKey
GNHSJTPNANDGSA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
37.87
TPSA
65.21

LogP / Solubility

WLOGP
0.51
MLOGP
0.45
XLogP3
0.8
Consensus LogP
0.59
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
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)
-3.32

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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