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CAS 1189878-73-6 1-Thiazol-4-yl-ethylamine dihydrochloride molecular structure lightbox
CAS RN: 1189878-73-6

1-Thiazol-4-yl-ethylamine dihydrochloride

  • Product code: SSC-019208
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1189878-73-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1189878-73-6 / 1-(1,3-thiazol-4-yl)ethanamine;dihydrochloride

1-THIAZOL-4-YL-ETHYLAMINE DIHYDROCHLORIDE | MFCD18071412 | 1-(thiazol-4-yl)ethan-1-amine dihydrochloride

Standard CAS: 1189878-73-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1189878-73-6
Multi CAS
No
Molecular Formula
C5H10Cl2N2S
Molecular Weight
201.120000
Exact Mass
199.994175
SMILES
CC(C1=CSC=N1)N.Cl.Cl
InChI
InChI=1S/C5H8N2S.2ClH/c1-4(6)5-2-8-3-7-5;;/h2-4H,6H2,1H3;2*1H
InChIKey
LKCAOWAORJKBAZ-UHFFFAOYSA-N
Synonyms
1-THIAZOL-4-YL-ETHYLAMINE DIHYDROCHLORIDE MFCD18071412 1-(thiazol-4-yl)ethan-1-amine dihydrochloride [1-(1,3-thiazol-4-yl)ethyl]amine dihydrochloride 1-(Thiazol-4-yl)ethanamine Dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.21
TPSA
38.91

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
2.01
Consensus LogP
1.93
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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