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CAS 1188164-65-9 2-(2-chloro-4-thiazolyl)Pyridine molecular structure lightbox
CAS RN: 1188164-65-9

2-(2-chloro-4-thiazolyl)Pyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250213 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1188164-65-9
  • Purity/Analytical Methods: >99.0%
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1188164-65-9 / 2-chloro-4-pyridin-2-yl-1,3-thiazole

2-Chloro-4-(pyridin-2-yl)thiazole | MFCD11220071 | 2-chloro-4-pyridin-2-yl-1,3-thiazole

Standard CAS: 1188164-65-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1188164-65-9
Multi CAS
No
Molecular Formula
C8H5ClN2S
Molecular Weight
196.660000
Exact Mass
195.986197
SMILES
C1=CC=NC(=C1)C2=CSC(=N2)Cl
InChI
InChI=1S/C8H5ClN2S/c9-8-11-7(5-12-8)6-3-1-2-4-10-6/h1-5H
InChIKey
NYZRBZKUQURPIO-UHFFFAOYSA-N
Synonyms
2-Chloro-4-(pyridin-2-yl)thiazole MFCD11220071 2-chloro-4-pyridin-2-yl-1,3-thiazole 2-chloro-4-(2-pyridyl)thiazole AKOS012240374

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
50.36
TPSA
25.78

LogP / Solubility

WLOGP
2.86
MLOGP
2.52
XLogP3
2.5
Consensus LogP
2.63
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89

Drug-likeness / Medicinal Chemistry

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

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