[email protected]
CAS 101189-47-3 2-(N-Pentyl-N’-guanidino)-4-(2-methylimidazol-4-yl)thiazole molecular structure lightbox
CAS RN: 101189-47-3

2-(N-Pentyl-N’-guanidino)-4-(2-methylimidazol-4-yl)thiazole

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250214 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS101189-47-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

101189-47-3 / 1-[4-(2-methyl-1H-imidazol-5-yl)-1,3-thiazol-2-yl]-2-pentylguanidine

CP-66948 | CP-66,948 | 2MD3W48EOE

Standard CAS: 101189-47-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101189-47-3
Multi CAS
No
Molecular Formula
C13H20N6S
Molecular Weight
292.410000
Exact Mass
292.147016
SMILES
CCCCCN=C(N)NC1=NC(=CS1)C2=CN=C(N2)C
InChI
InChI=1S/C13H20N6S/c1-3-4-5-6-15-12(14)19-13-18-11(8-20-13)10-7-16-9(2)17-10/h7-8H,3-6H2,1-2H3,(H,16,17)(H3,14,15,18,19)
InChIKey
OZSXWXGDJLBJQO-UHFFFAOYSA-N
Synonyms
CP-66948 CP-66,948 2MD3W48EOE Guanidine, N-(4-(2-methyl-1H-imidazol-4-yl)-2-thiazolyl)-N'-pentyl- DTXSID60143765

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
84.07
TPSA
91.98

LogP / Solubility

WLOGP
2.76
MLOGP
2.44
XLogP3
2
Consensus LogP
2.4
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us