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CAS 56933-57-4 2-(1,3-thiazol-2-yl)ethanamine,salt form:2HCl molecular structure lightbox
CAS RN: 56933-57-4

2-(1,3-thiazol-2-yl)ethanamine,salt form:2HCl

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250529 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS56933-57-4
  • Purity/Analytical Methods: >99.0%
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56933-57-4 / 2-(1,3-thiazol-2-yl)ethanamine;dihydrochloride

Standard CAS: 56933-57-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56933-57-4
Multi CAS
Yes
Molecular Formula
C5H10CL2N2S
Molecular Weight
201.120000
Exact Mass
199.994175
InChI
InChI=1S/C5H8N2S.ClH/c6-2-1-5-7-3-4-8-5;/h3-4H,1-2,6H2;1H
InChIKey
WYVAWIXRBQVQLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.37
TPSA
38.91

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.49
Consensus LogP
1.43
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89

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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