CAS RN: 1094460-88-4
4-(2-Methyl-1,3-thiazol-4-yl)benzene-1-sulfonamide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250802 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1094460-88-4
- Purity/Analytical Methods: >99.0%
1094460-88-4 / 4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
4-(2-Methyl-1,3-thiazol-4-yl)benzene-1-sulfonamide | 4-(2-Methylthiazol-4-yl)benzenesulfonamide | MFCD11650716
Basic Information
CAS
1094460-88-4
Multi CAS
No
Molecular Formula
C10H10N2O2S2
Molecular Weight
254.300000
Exact Mass
254.018370
SMILES
CC1=NC(=CS1)C2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C10H10N2O2S2/c1-7-12-10(6-15-7)8-2-4-9(5-3-8)16(11,13)14/h2-6H,1H3,(H2,11,13,14)
InChIKey
UUHKWPQHPKMCCQ-UHFFFAOYSA-N
Synonyms
4-(2-Methyl-1,3-thiazol-4-yl)benzene-1-sulfonamide
4-(2-Methylthiazol-4-yl)benzenesulfonamide
MFCD11650716
4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SCHEMBL18358985
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.66
TPSA
73.05
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
1.6
Consensus LogP
1.64
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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