[email protected]
CAS 1159815-51-6 4-Bromo-2-(piperidin-4-yl)thiazole molecular structure lightbox
CAS RN: 1159815-51-6

4-Bromo-2-(piperidin-4-yl)thiazole

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260515 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: LINB905077
GET A QUOTE

1159815-51-6 / 4-bromo-2-piperidin-4-yl-1,3-thiazole

4-Bromo-2-(piperidin-4-yl)thiazole | Piperidine, 4-(4-bromo-2-thiazolyl)- | 4-(4-Bromo-1,3-thiazol-2-yl)piperidine

Standard CAS: 1159815-51-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1159815-51-6
Multi CAS
No
Molecular Formula
C8H11BrN2S
Molecular Weight
247.160000
Exact Mass
245.982630
SMILES
C1CNCCC1C2=NC(=CS2)Br
InChI
InChI=1S/C8H11BrN2S/c9-7-5-12-8(11-7)6-1-3-10-4-2-6/h5-6,10H,1-4H2
InChIKey
ZBFMWLRBFKKZJC-UHFFFAOYSA-N
Synonyms
4-Bromo-2-(piperidin-4-yl)thiazole Piperidine, 4-(4-bromo-2-thiazolyl)- 4-(4-Bromo-1,3-thiazol-2-yl)piperidine 4-bromo-2-piperidin-4-yl-1,3-thiazole MFCD12033528

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.66
TPSA
24.92

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
2.1
Consensus LogP
2.19
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us