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CAS 1415564-69-0 4-(4-broMothiazol-2-yl)-N,N-diMethylaniline molecular structure lightbox
CAS RN: 1415564-69-0

4-(4-broMothiazol-2-yl)-N,N-diMethylaniline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260607 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1415564-69-0
  • Purity/Analytical Methods: >99.0%
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1415564-69-0 / 4-(4-bromo-1,3-thiazol-2-yl)-N,N-dimethylaniline

Standard CAS: 1415564-69-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1415564-69-0
Multi CAS
No
Molecular Formula
C11H11BrN2S
Molecular Weight
283.190000
Exact Mass
281.982630
SMILES
CN(C)C1=CC=C(C=C1)C2=NC(=CS2)Br
InChI
InChI=1S/C11H11BrN2S/c1-14(2)9-5-3-8(4-6-9)11-13-10(12)7-15-11/h3-7H,1-2H3
InChIKey
GZKYURYAOIMNNX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
69.58
TPSA
16.13

LogP / Solubility

WLOGP
3.64
MLOGP
3.21
XLogP3
3.8
Consensus LogP
3.55
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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