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CAS 105512-78-5 4-(4-DIFLUOROMETHOXY-PHENYL)-THIAZOL-2-YLAMINE molecular structure lightbox
CAS RN: 105512-78-5

4-(4-DIFLUOROMETHOXY-PHENYL)-THIAZOL-2-YLAMINE

  • Product code: SSC-007232
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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 105512-78-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

105512-78-5 / 4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-amine

4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-amine | 4-(4-(DIFLUOROMETHOXY)PHENYL)THIAZOL-2-AMINE | 4-(4-Difluoromethoxy-phenyl)-thiazol-2-ylamine

Standard CAS: 105512-78-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
105512-78-5
Multi CAS
No
Molecular Formula
C10H8F2N2OS
Molecular Weight
242.250000
Exact Mass
242.032540
SMILES
C1=CC(=CC=C1C2=CSC(=N2)N)OC(F)F
InChI
InChI=1S/C10H8F2N2OS/c11-9(12)15-7-3-1-6(2-4-7)8-5-16-10(13)14-8/h1-5,9H,(H2,13,14)
InChIKey
CKHGOQGHJICJFZ-UHFFFAOYSA-N
Synonyms
4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-amine 4-(4-(DIFLUOROMETHOXY)PHENYL)THIAZOL-2-AMINE 4-(4-Difluoromethoxy-phenyl)-thiazol-2-ylamine MFCD02711467 4-[4-(difluoromethoxy)phenyl]thiazol-2-amine

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.59
TPSA
48.14

LogP / Solubility

WLOGP
2.99
MLOGP
2.64
XLogP3
3.2
Consensus LogP
2.94
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07

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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