CAS RN: 1042735-18-1
ABC-1183
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260131 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1042735-18-1
- Purity/Analytical Methods: >99.0%
1042735-18-1 / 4-[4-amino-2-(4-methylanilino)-1,3-thiazole-5-carbonyl]benzonitrile
ABC1183 | ABC-1183 | CHEMBL5595735
Basic Information
CAS
1042735-18-1
Multi CAS
No
Molecular Formula
C18H14N4OS
Molecular Weight
334.400000
Exact Mass
334.088832
SMILES
CC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=C(C=C3)C#N)N
InChI
InChI=1S/C18H14N4OS/c1-11-2-8-14(9-3-11)21-18-22-17(20)16(24-18)15(23)13-6-4-12(10-19)5-7-13/h2-9H,20H2,1H3,(H,21,22)
InChIKey
CUDLEXBIVZPJBU-UHFFFAOYSA-N
Synonyms
ABC1183
ABC-1183
CHEMBL5595735
4-(4-Amino-2-(p-tolylamino)thiazole-5-carbonyl)benzonitrile
ABC 1183
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
95.58
TPSA
91.8
LogP / Solubility
WLOGP
3.88
MLOGP
3.43
XLogP3
4.8
Consensus LogP
4.04
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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