CAS RN: 2373065-59-7
4-Piperidinecarboxamide, 1-methyl-N-(5-phenyl-2-thiazolyl)-
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| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260119 | 10mg | Out of stock | Inquiry |
- Product code: starshine_CAS2373065-59-7
- Purity/Analytical Methods: >99.0%
2373065-59-7 / 1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
Basic Information
CAS
2373065-59-7
Multi CAS
No
Molecular Formula
C16H19N3OS
Molecular Weight
301.400000
Exact Mass
301.124883
SMILES
CN1CCC(CC1)C(=O)NC2=NC=C(S2)C3=CC=CC=C3
InChI
InChI=1S/C16H19N3OS/c1-19-9-7-13(8-10-19)15(20)18-16-17-11-14(21-16)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,18,20)
InChIKey
BTZKRRFKIKIADV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
86.4
TPSA
45.23
LogP / Solubility
WLOGP
3.09
MLOGP
2.73
XLogP3
2.6
Consensus LogP
2.81
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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