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CAS 103694-26-4 C-(2-METHYL-THIAZOL-4-YL)-METHYLAMINE molecular structure lightbox
CAS RN: 103694-26-4

C-(2-METHYL-THIAZOL-4-YL)-METHYLAMINE

  • Product code: SSC-005276
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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: 10g
  • 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 103694-26-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

103694-26-4 / (2-methyl-1,3-thiazol-4-yl)methanamine

C-(2-Methyl-Thiazol-4-Yl)-Methylamine | (2-Methylthiazol-4-yl)MethanaMine | 2-Methyl-1,3-thiazole-4-methylamine

Standard CAS: 103694-26-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103694-26-4
Multi CAS
Yes
Molecular Formula
C5H8N2S
Molecular Weight
128.200000
Exact Mass
128.040819
SMILES
CC1=NC(=CS1)CN
InChI
InChI=1S/C5H8N2S/c1-4-7-5(2-6)3-8-4/h3H,2,6H2,1H3
InChIKey
ZCKAEFOHSOQKHN-UHFFFAOYSA-N
Synonyms
C-(2-Methyl-Thiazol-4-Yl)-Methylamine (2-Methylthiazol-4-yl)MethanaMine 2-Methyl-1,3-thiazole-4-methylamine (2-methyl-1,3-thiazol-4-yl)methanamine (2-methyl-1,3-thiazol-4-yl)methylamine

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.74
TPSA
38.91

LogP / Solubility

WLOGP
0.91
MLOGP
0.79
XLogP3
0.2
Consensus LogP
0.63
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
Class (SILICOS-IT)
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)
-2.86

Drug-likeness / Medicinal Chemistry

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

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