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827598-41-4

827598-41-4 | Phenol, 4-[(4,5-dihydro-2-methylthiazolo[4,5-h]quinazolin-8-yl)amino]-

CAS No: 827598-41-4 Catalog No: AG004UCS MDL No:

Product Description

Catalog Number:
AG004UCS
Chemical Name:
Phenol, 4-[(4,5-dihydro-2-methylthiazolo[4,5-h]quinazolin-8-yl)amino]-
CAS Number:
827598-41-4
Molecular Formula:
C16H14N4OS
Molecular Weight:
310.3736
IUPAC Name:
4-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol
InChI:
InChI=1S/C16H14N4OS/c1-9-18-13-7-2-10-8-17-16(20-14(10)15(13)22-9)19-11-3-5-12(21)6-4-11/h3-6,8,21H,2,7H2,1H3,(H,17,19,20)
InChI Key:
UZIOINNWQLHWHQ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Nc1ncc2c(n1)c1sc(nc1CC2)C

Properties

Complexity:
390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.089g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
310.375g/mol
Monoisotopic Mass:
310.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Literature

Title Journal
Design, synthesis, and evaluation of 2-methyl- and 2-amino-N-aryl-4,5-dihydrothiazolo[4,5-h]quinazolin-8-amines as ring-constrained 2-anilino-4-(thiazol-5-yl)pyrimidine cyclin-dependent kinase inhibitors. Journal of medicinal chemistry 20100311

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