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 | Shanghai | Inquiry |
1190702-11-4 / 4-pyrrolidin-2-yl-1,3-thiazole
4-(pyrrolidin-2-yl)thiazole | MFCD20482874 | 4-(PYRROLIDIN-2-YL)-1,3-THIAZOLE
Basic Information
CAS
1190702-11-4
Multi CAS
No
Molecular Formula
C7H10N2S
Molecular Weight
154.240000
Exact Mass
154.056470
SMILES
C1CC(NC1)C2=CSC=N2
InChI
InChI=1S/C7H10N2S/c1-2-6(8-3-1)7-4-10-5-9-7/h4-6,8H,1-3H2
InChIKey
FCGXVNAOFWTJEW-UHFFFAOYSA-N
Synonyms
4-(pyrrolidin-2-yl)thiazole
MFCD20482874
4-(PYRROLIDIN-2-YL)-1,3-THIAZOLE
4-pyrrolidin-2-yl-1,3-thiazole
4-(2-Pyrrolidinyl)thiazole
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.09
TPSA
24.92
LogP / Solubility
WLOGP
1.57
MLOGP
1.37
XLogP3
0.9
Consensus LogP
1.28
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately 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)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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