(2R)-3-[5-(oxan-4-yloxy)-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]quinazolin-7-yl]oxypropane-1,2-diol

C20H21F3N4O5S — CID 118101351

IUPAC(2R)-3-[5-(oxan-4-yloxy)-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]quinazolin-7-yl]oxypropane-1,2-diol
SMILESOC[C@@H](O)COc1cc(OC2CCOCC2)c2c(Nc3nc(C(F)(F)F)cs3)ncnc2c1
InChIInChI=1S/C20H21F3N4O5S/c21-20(22,23)16-9-33-19(26-16)27-18-17-14(24-10-25-18)5-13(31-8-11(29)7-28)6-15(17)32-12-1-3-30-4-2-12/h5-6,9-12,28-29H,1-4,7-8H2,(H,24,25,26,27)/t11-/m1/s1
InChIKeyDZSCTKHRAUEXRY-LLVKDONJSA-N
MW486.47 g/mol
LogP3.14
Rot. Bonds8

About (2R)-3-[5-(oxan-4-yloxy)-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]quinazolin-7-yl]oxypropane-1,2-diol

(2R)-3-[5-(oxan-4-yloxy)-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]quinazolin-7-yl]oxypropane-1,2-diol (PubChem CID 118101351) has the molecular formula C20H21F3N4O5S and a molecular weight of 486.47 g/mol. Its IUPAC name is (2R)-3-[5-(oxan-4-yloxy)-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]quinazolin-7-yl]oxypropane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[5-(oxan-4-yloxy)-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]quinazolin-7-yl]oxypropane-1,2-diol
PubChem CID118101351
Molecular FormulaC20H21F3N4O5S
Molecular Weight486.47 g/mol
Exact Mass486.12
IUPAC Name(2R)-3-[5-(oxan-4-yloxy)-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]quinazolin-7-yl]oxypropane-1,2-diol
SMILESOC[C@@H](O)COc1cc(OC2CCOCC2)c2c(Nc3nc(C(F)(F)F)cs3)ncnc2c1
InChIInChI=1S/C20H21F3N4O5S/c21-20(22,23)16-9-33-19(26-16)27-18-17-14(24-10-25-18)5-13(31-8-11(29)7-28)6-15(17)32-12-1-3-30-4-2-12/h5-6,9-12,28-29H,1-4,7-8H2,(H,24,25,26,27)/t11-/m1/s1
InChIKeyDZSCTKHRAUEXRY-LLVKDONJSA-N
XLogP3.14
TPSA118.85 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.47
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (2R)-3-[5-(oxan-4-yloxy)-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]quinazolin-7-yl]oxypropane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3-thiazol-2-amine
CID 118101350
N-[7-(3-morpholin-4-ylpropoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3,4-thiadiazol-2-amine
CID 118101348
1-morpholin-4-yl-3-[5-(oxan-4-yloxy)quinazolin-7-yl]oxypropan-2-ol
CID 91578906
N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine
CID 86594820
[4-(2,4-dichloro-5-methoxyanilino)-5-(oxan-4-yloxy)quinazolin-7-yl] acetate
CID 22140824
N-(3-chloro-4-fluorophenyl)-7-[2-[2-methoxyethyl(methyl)amino]ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
CID 68885905
N-(5-chloro-2,2-dideuterio-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-[2-[4-(trideuteriomethyl)piperazin-1-yl]ethoxy]quinazolin-4-amine
CID 138698452
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-(oxan-4-yloxy)-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine;hydrochloride
CID 11974114
N-(1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine
CID 11974021
N-(2,4-dichloro-5-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
CID 10144363
4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-(oxan-4-yloxy)quinazolin-7-ol
CID 135430668
N-(5-chloro-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-[2-[4-(trideuteriomethyl)piperazin-1-yl]ethoxy]quinazolin-4-amine
CID 173003015

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[5-(oxan-4-yloxy)-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]quinazolin-7-yl]oxypropane-1,2-diol?
The IUPAC name of (2R)-3-[5-(oxan-4-yloxy)-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]quinazolin-7-yl]oxypropane-1,2-diol (CID 118101351) is (2R)-3-[5-(oxan-4-yloxy)-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]quinazolin-7-yl]oxypropane-1,2-diol.
What is the SMILES notation for (2R)-3-[5-(oxan-4-yloxy)-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]quinazolin-7-yl]oxypropane-1,2-diol?
The canonical SMILES for (2R)-3-[5-(oxan-4-yloxy)-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]quinazolin-7-yl]oxypropane-1,2-diol is OC[C@@H](O)COc1cc(OC2CCOCC2)c2c(Nc3nc(C(F)(F)F)cs3)ncnc2c1.
What is the InChIKey of (2R)-3-[5-(oxan-4-yloxy)-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]quinazolin-7-yl]oxypropane-1,2-diol?
The InChIKey is DZSCTKHRAUEXRY-LLVKDONJSA-N. The full InChI is InChI=1S/C20H21F3N4O5S/c21-20(22,23)16-9-33-19(26-16)27-18-17-14(24-10-25-18)5-13(31-8-11(29)7-28)6-15(17)32-12-1-3-30-4-2-12/h5-6,9-12,28-29H,1-4,7-8H2,(H,24,25,26,27)/t11-/m1/s1.
What are the key properties of (2R)-3-[5-(oxan-4-yloxy)-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]quinazolin-7-yl]oxypropane-1,2-diol?
(2R)-3-[5-(oxan-4-yloxy)-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]quinazolin-7-yl]oxypropane-1,2-diol has a molecular weight of 486.47 g/mol, XLogP of 3.14, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[5-(oxan-4-yloxy)-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]quinazolin-7-yl]oxypropane-1,2-diol is sourced from PubChem (CID 118101351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).