CAS RN: 878376-13-7
tert-butyl 5-(aMinoMethyl)thiazol-2-ylcarbaMate
- Product code: SSC-198164
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 | Shenzhen | Inquiry |
878376-13-7 / tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate
Basic Information
CAS
878376-13-7
Multi CAS
No
Molecular Formula
C9H15N3O2S
Molecular Weight
229.300000
Exact Mass
229.088498
InChI
InChI=1S/C9H15N3O2S/c1-9(2,3)14-8(13)12-7-11-5-6(4-10)15-7/h5H,4,10H2,1-3H3,(H,11,12,13)
InChIKey
BJBOIRJERIUSFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
59.86
TPSA
77.24
LogP / Solubility
WLOGP
1.95
MLOGP
1.72
XLogP3
0.7
Consensus LogP
1.46
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly 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)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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