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CAS 1185542-42-0 2-(Piperidin-4-yloxy)-1,3-benzothiazole molecular structure lightbox
CAS RN: 1185542-42-0

2-(Piperidin-4-yloxy)-1,3-benzothiazole

  • Product code: SSC-018409
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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 1185542-42-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1185542-42-0 / 2-piperidin-4-yloxy-1,3-benzothiazole

2-(piperidin-4-yloxy)-1,3-benzothiazole | 2-piperidin-4-yloxy-1,3-benzothiazole | MFCD16736290

Standard CAS: 1185542-42-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1185542-42-0
Multi CAS
Yes
Molecular Formula
C12H14N2OS
Molecular Weight
234.320000
Exact Mass
234.082684
SMILES
C1CNCCC1OC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C12H14N2OS/c1-2-4-11-10(3-1)14-12(16-11)15-9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
InChIKey
NHNWZAYGGKJMNS-UHFFFAOYSA-N
Synonyms
2-(piperidin-4-yloxy)-1,3-benzothiazole 2-piperidin-4-yloxy-1,3-benzothiazole MFCD16736290 2-(4-Piperidyloxy)benzothiazole F2145-0508

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.14
TPSA
34.15

LogP / Solubility

WLOGP
2.43
MLOGP
2.14
XLogP3
2.7
Consensus LogP
2.42
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-2.43

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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