CAS RN: 187230-38-2
5-Thiazolesulfonamide,2-amino-4-methyl-(9CI)
- Product code: SSC-087008
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
187230-38-2 / 2-amino-4-methyl-1,3-thiazole-5-sulfonamide
Basic Information
CAS
187230-38-2
Multi CAS
No
Molecular Formula
C4H7N3O2S2
Molecular Weight
193.300000
Exact Mass
192.997969
SMILES
CC1=C(SC(=N1)N)S(=O)(=O)N
InChI
InChI=1S/C4H7N3O2S2/c1-2-3(11(6,8)9)10-4(5)7-2/h1H3,(H2,5,7)(H2,6,8,9)
InChIKey
KPALZDBVQINZCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
42.64
TPSA
99.07
LogP / Solubility
WLOGP
-0.32
MLOGP
-0.28
XLogP3
-0.1
Consensus LogP
-0.23
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.77
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.13
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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