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CAS 105362-05-8 4-(Thien-3-yl)-1,3-thiazol-2-amine molecular structure lightbox
CAS RN: 105362-05-8

4-(Thien-3-yl)-1,3-thiazol-2-amine

  • Product code: SSC-007087
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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 105362-05-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

105362-05-8 / 4-thiophen-3-yl-1,3-thiazol-2-amine

4-Thien-3-yl-1,3-thiazol-2-amine | 4-(thiophen-3-yl)-1,3-thiazol-2-amine | MFCD14707003

Standard CAS: 105362-05-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
105362-05-8
Multi CAS
No
Molecular Formula
C7H6N2S2
Molecular Weight
182.300000
Exact Mass
181.997241
SMILES
C1=CSC=C1C2=CSC(=N2)N
InChI
InChI=1S/C7H6N2S2/c8-7-9-6(4-11-7)5-1-2-10-3-5/h1-4H,(H2,8,9)
InChIKey
SBOMEHIUYMFKNH-UHFFFAOYSA-N
Synonyms
4-Thien-3-yl-1,3-thiazol-2-amine 4-(thiophen-3-yl)-1,3-thiazol-2-amine MFCD14707003 2-Amino-4-(thien-3-yl)-1,3-thiazole 4-thiophen-3-yl-1,3-thiazol-2-amine

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.84
TPSA
38.91

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
1.9
Consensus LogP
2.17
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

Drug-likeness / Medicinal Chemistry

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

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