CAS RN: 195824-61-4
2-Thiazolamine, 4-(6-methoxy-2-naphthalenyl)-
- Product code: SSC-092598
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 |
195824-61-4 / 4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-2-amine
Basic Information
CAS
195824-61-4
Multi CAS
No
Molecular Formula
C14H12N2OS
Molecular Weight
256.320000
Exact Mass
256.067034
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C14H12N2OS/c1-17-12-5-4-9-6-11(3-2-10(9)7-12)13-8-18-14(15)16-13/h2-8H,1H3,(H2,15,16)
InChIKey
MFFKQMIPBHGUKM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
76.02
TPSA
48.14
LogP / Solubility
WLOGP
3.55
MLOGP
3.13
XLogP3
3.5
Consensus LogP
3.39
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76
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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