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CAS 144774-99-2 2-Phenyl-1-thiazol-2-yl-ethanone molecular structure lightbox
CAS RN: 144774-99-2

2-Phenyl-1-thiazol-2-yl-ethanone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250707 1g Out of stock 5-7 business days Inquiry
  • Product code: LINP926653
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144774-99-2 / 2-phenyl-1-(1,3-thiazol-2-yl)ethanone

Standard CAS: 144774-99-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144774-99-2
Multi CAS
No
Molecular Formula
C11H9NOS
Molecular Weight
203.260000
Exact Mass
203.040485
SMILES
C1=CC=C(C=C1)CC(=O)C2=NC=CS2
InChI
InChI=1S/C11H9NOS/c13-10(11-12-6-7-14-11)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey
AVQUQUPRIYRNFZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
56.59
TPSA
29.96

LogP / Solubility

WLOGP
2.57
MLOGP
2.26
XLogP3
2.6
Consensus LogP
2.48
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14

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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