CAS RN: 688064-14-4
4-Thiazolecarboxylicacid,2-amino-5-methyl-(9CI)
- Product code: SSC-178485
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Hong Kong | Inquiry |
688064-14-4 / 2-amino-5-methyl-1,3-thiazole-4-carboxylic acid
Basic Information
CAS
688064-14-4
Multi CAS
No
Molecular Formula
C5H6N2O2S
Molecular Weight
158.180000
Exact Mass
158.014999
InChI
InChI=1S/C5H6N2O2S/c1-2-3(4(8)9)7-5(6)10-2/h1H3,(H2,6,7)(H,8,9)
InChIKey
BAANOAVDEBKXEY-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
4
H-bond donors
2
Molar refractivity
38.22
TPSA
76.21
LogP / Solubility
WLOGP
0.73
MLOGP
0.64
XLogP3
0.9
Consensus LogP
0.76
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-3.17
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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