[email protected]
CAS 40045-50-9 2-Amino-5-[(5-nitro-2-thiazolyl)thio]-1,3,4-thiadiazole molecular structure lightbox
CAS RN: 40045-50-9

2-Amino-5-[(5-nitro-2-thiazolyl)thio]-1,3,4-thiadiazole

Product Availability

Choose a grade to view its available package options.

11 package records11 with current stock5 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250125 10mg / 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260527 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260428 1g In stock Shanghai Inquiry
Batchno.20260211 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260416 50mg In stock Shanghai, Shenzhen Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260506 10mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250407 10mg / 50mg / 250mg Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250518 10mg In stock Inquiry
Batchno.20251027 1g In stock Inquiry
Batchno.20251024 250mg In stock Inquiry
Batchno.20250717 50mg In stock Inquiry
  • Product code: ICTA2940
  • Purity/Analytical Methods: >96.0%(HPLC)
GET A QUOTE

40045-50-9 / 5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

Standard CAS: 40045-50-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40045-50-9
Multi CAS
No
Molecular Formula
C5H3N5O2S3
Molecular Weight
261.300000
Exact Mass
260.944888
InChI
InChI=1S/C5H3N5O2S3/c6-3-8-9-5(14-3)15-4-7-1-2(13-4)10(11)12/h1H,(H2,6,8)
InChIKey
NQQBNZBOOHHVQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
1
Molar refractivity
57.21
TPSA
107.83

LogP / Solubility

WLOGP
1.64
MLOGP
1.45
XLogP3
1.9
Consensus LogP
1.66
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us