![CAS 1006596-05-9 3-(1,3-Benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1006596-05-9.gif)
CAS RN: 1006596-05-9
3-(1,3-Benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-amine
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.20260417 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1006596-05-9
- Purity/Analytical Methods: >99.0%
1006596-05-9 / 3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine
3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-amine | 3-(benzo[d]thiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-amine | MFCD11986974
Basic Information
CAS
1006596-05-9
Multi CAS
No
Molecular Formula
C15H15N3S2
Molecular Weight
301.400000
Exact Mass
301.070740
SMILES
CN1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)N
InChI
InChI=1S/C15H15N3S2/c1-18-7-6-9-12(8-18)19-14(16)13(9)15-17-10-4-2-3-5-11(10)20-15/h2-5H,6-8,16H2,1H3
InChIKey
YIFZSCDNJWDJOA-UHFFFAOYSA-N
Synonyms
3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-amine
3-(benzo[d]thiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-amine
MFCD11986974
3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine
SCHEMBL3752414
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
87.38
TPSA
42.15
LogP / Solubility
WLOGP
3.59
MLOGP
3.18
XLogP3
3.3
Consensus LogP
3.36
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
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
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