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CAS 13816-21-2 2-(thiazol-2-yl)thiazole molecular structure lightbox
CAS RN: 13816-21-2

2-(thiazol-2-yl)thiazole

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260606 100mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250123 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batchno.20260303 1g Out of stock Inquiry
Batchno.20250227 250mg In stock Shenzhen, Chengdu Inquiry
  • Product code: starshine_CAS13816-21-2
  • Purity/Analytical Methods: >99.0%
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13816-21-2 / 2-(1,3-thiazol-2-yl)-1,3-thiazole

Standard CAS: 13816-21-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13816-21-2
Multi CAS
No
Molecular Formula
C6H4N2S2
Molecular Weight
168.200000
Exact Mass
167.981590
SMILES
C1=CSC(=N1)C2=NC=CS2
InChI
InChI=1S/C6H4N2S2/c1-3-9-5(7-1)6-8-2-4-10-6/h1-4H
InChIKey
SMSLWFZHCONMGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
43.22
TPSA
25.78

LogP / Solubility

WLOGP
2.27
MLOGP
1.99
XLogP3
1.7
Consensus LogP
1.99
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately 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)
-2.14

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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