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CAS 1005-28-3 2-DIMETHYLAMINO-THIAZOLE-5-CARBALDEHYDE molecular structure lightbox
CAS RN: 1005-28-3

2-DIMETHYLAMINO-THIAZOLE-5-CARBALDEHYDE

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250314 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS1005-28-3
  • Purity/Analytical Methods: >99.0%
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1005-28-3 / 2-(dimethylamino)-1,3-thiazole-5-carbaldehyde

2-(dimethylamino)-1,3-thiazole-5-carbaldehyde | DTXSID80511361 | RefChem:460758

Standard CAS: 1005-28-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1005-28-3
Multi CAS
No
Molecular Formula
C6H8N2OS
Molecular Weight
156.210000
Exact Mass
156.035734
SMILES
CN(C)C1=NC=C(S1)C=O
InChI
InChI=1S/C6H8N2OS/c1-8(2)6-7-3-5(4-9)10-6/h3-4H,1-2H3
InChIKey
ZOPJEHPVWLTDJW-UHFFFAOYSA-N
Synonyms
2-(dimethylamino)-1,3-thiazole-5-carbaldehyde DTXSID80511361 RefChem:460758 DTXCID40462168 973-561-0

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
41.83
TPSA
33.2

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
1.2
Consensus LogP
1.04
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501

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