![CAS 315705-10-3 4′-METHYL-N2-PYRIMIDIN-2-YL-[4,5′]BITHIAZOLYL-2,2′-DIAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB6474481(1).gif)
CAS RN: 315705-10-3
4′-METHYL-N2-PYRIMIDIN-2-YL-[4,5′]BITHIAZOLYL-2,2′-DIAMINE
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS315705-10-3
- Purity/Analytical Methods: >99.0%
315705-10-3 / 4-methyl-5-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
Basic Information
CAS
315705-10-3
Multi CAS
No
Molecular Formula
C11H10N6S2
Molecular Weight
290.400000
Exact Mass
290.040837
InChI
InChI=1S/C11H10N6S2/c1-6-8(19-9(12)15-6)7-5-18-11(16-7)17-10-13-3-2-4-14-10/h2-5H,1H3,(H2,12,15)(H,13,14,16,17)
InChIKey
FHVNBKUGDCJKHS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
16
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
2
Molar refractivity
77.69
TPSA
89.61
LogP / Solubility
WLOGP
2.69
MLOGP
2.38
XLogP3
2.2
Consensus LogP
2.42
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
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)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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2-MERCAPTO-3,6-DIPHENYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE
- CAS RN: 315710-78-2
- Product Code: SSC-136982
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![CAS 315710-78-2 2-MERCAPTO-3,6-DIPHENYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2388324(1).gif)
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