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CAS 16763-01-2 N-BENZYL-6-METHOXY-1,3-BENZOTHIAZOL-2-AMINE molecular structure lightbox
CAS RN: 16763-01-2

N-BENZYL-6-METHOXY-1,3-BENZOTHIAZOL-2-AMINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260228 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS16763-01-2
  • Purity/Analytical Methods: >99.0%
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16763-01-2 / N-benzyl-6-methoxy-1,3-benzothiazol-2-amine

Standard CAS: 16763-01-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16763-01-2
Multi CAS
No
Molecular Formula
C15H14N2OS
Molecular Weight
270.400000
Exact Mass
270.082684
SMILES
COC1=CC2=C(C=C1)N=C(S2)NCC3=CC=CC=C3
InChI
InChI=1S/C15H14N2OS/c1-18-12-7-8-13-14(9-12)19-15(17-13)16-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)
InChIKey
BMGAUNIDKBRZJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
79.94
TPSA
34.15

LogP / Solubility

WLOGP
3.92
MLOGP
3.46
XLogP3
4.6
Consensus LogP
3.99
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
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)
-1.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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