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CAS 1427460-91-0 Methyl 4-amino-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate molecular structure lightbox
CAS RN: 1427460-91-0

Methyl 4-amino-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate

  • Product code: SSC-053924
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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 1427460-91-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1427460-91-0 / methyl 4-amino-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate

Standard CAS: 1427460-91-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427460-91-0
Multi CAS
No
Molecular Formula
C10H16N4O2S
Molecular Weight
256.330000
Exact Mass
256.099397
SMILES
CN1CCN(CC1)C2=NC(=C(S2)C(=O)OC)N
InChI
InChI=1S/C10H16N4O2S/c1-13-3-5-14(6-4-13)10-12-8(11)7(17-10)9(15)16-2/h3-6,11H2,1-2H3
InChIKey
CISZGGKARBQRFZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
1
Molar refractivity
67.58
TPSA
71.69

LogP / Solubility

WLOGP
0.26
MLOGP
0.24
XLogP3
1.6
Consensus LogP
0.7
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
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)
-4.1

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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