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CAS 120276-03-1 5-Thiazolemethanamine, -alpha-,2,4-trimethyl- molecular structure lightbox
CAS RN: 120276-03-1

5-Thiazolemethanamine, -alpha-,2,4-trimethyl-

  • Product code: SSC-021124
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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 120276-03-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

120276-03-1 / 1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine

1-(2,4-dimethyl-1,3-thiazol-5-yl)ethan-1-amine | RefChem:420514 | 887-708-0

Standard CAS: 120276-03-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
120276-03-1
Multi CAS
No
Molecular Formula
C7H12N2S
Molecular Weight
156.250000
Exact Mass
156.072120
SMILES
CC1=C(SC(=N1)C)C(C)N
InChI
InChI=1S/C7H12N2S/c1-4(8)7-5(2)9-6(3)10-7/h4H,8H2,1-3H3
InChIKey
HIJYHZZFVMCOKK-UHFFFAOYSA-N
Synonyms
1-(2,4-dimethyl-1,3-thiazol-5-yl)ethan-1-amine RefChem:420514 887-708-0 1-(dimethyl-1,3-thiazol-5-yl)ethan-1-amine 5-Thiazolemethanamine, -alpha-,2,4-trimethyl-

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.19
TPSA
38.91

LogP / Solubility

WLOGP
1.78
MLOGP
1.56
XLogP3
1
Consensus LogP
1.45
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately 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)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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