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CAS 1067637-89-1 N-(5-acetyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide molecular structure lightbox
CAS RN: 1067637-89-1

N-(5-acetyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide

  • Product code: SSC-008286
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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 1067637-89-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1067637-89-1 / N-(5-acetyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide

N-(5-acetyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide | N-(5-Acetylthiazol-2-yl)pivalamide | MFCD30471672

Standard CAS: 1067637-89-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1067637-89-1
Multi CAS
No
Molecular Formula
C10H14N2O2S
Molecular Weight
226.300000
Exact Mass
226.077599
SMILES
CC(=O)C1=CN=C(S1)NC(=O)C(C)(C)C
InChI
InChI=1S/C10H14N2O2S/c1-6(13)7-5-11-9(15-7)12-8(14)10(2,3)4/h5H,1-4H3,(H,11,12,14)
InChIKey
RIAMSJQKSBSVHN-UHFFFAOYSA-N
Synonyms
N-(5-acetyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide N-(5-Acetylthiazol-2-yl)pivalamide MFCD30471672 SCHEMBL3800102 RIAMSJQKSBSVHN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.2
TPSA
59.06

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
1.9
Consensus LogP
2.09
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly 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)
-2.45

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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