1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(1,3-thiazol-2-ylmethyl)urea

C21H20N6O2S — CID 155206389

IUPAC1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(1,3-thiazol-2-ylmethyl)urea
SMILESCN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4nccs4)cc3)ncnc2c1
InChIInChI=1S/C21H20N6O2S/c1-27(2)15-5-8-17-18(11-15)24-13-25-20(17)29-16-6-3-14(4-7-16)26-21(28)23-12-19-22-9-10-30-19/h3-11,13H,12H2,1-2H3,(H2,23,26,28)
InChIKeyYGJHCVYSLKGIDZ-UHFFFAOYSA-N
MW420.50 g/mol
LogP4.27
Rot. Bonds6

About 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(1,3-thiazol-2-ylmethyl)urea

1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(1,3-thiazol-2-ylmethyl)urea (PubChem CID 155206389) has the molecular formula C21H20N6O2S and a molecular weight of 420.50 g/mol. Its IUPAC name is 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(1,3-thiazol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(1,3-thiazol-2-ylmethyl)urea
PubChem CID155206389
Molecular FormulaC21H20N6O2S
Molecular Weight420.50 g/mol
Exact Mass420.14
IUPAC Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(1,3-thiazol-2-ylmethyl)urea
SMILESCN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4nccs4)cc3)ncnc2c1
InChIInChI=1S/C21H20N6O2S/c1-27(2)15-5-8-17-18(11-15)24-13-25-20(17)29-16-6-3-14(4-7-16)26-21(28)23-12-19-22-9-10-30-19/h3-11,13H,12H2,1-2H3,(H2,23,26,28)
InChIKeyYGJHCVYSLKGIDZ-UHFFFAOYSA-N
XLogP4.27
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(1,3-thiazol-2-ylmethyl)urea with MolForge

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Related Compounds

1-[4-[7-(Dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)pyridin-3-yl]methyl]urea
CID 155195529
Bpr-1K871
CID 126970666
N-(3-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9925060
N-(4-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9968856
(6,7-Diethoxy-quinazolin-4-yl)-(3-thiazol-2-yl-phenyl)-amine
CID 10216042
1-[5-[2-[[7-[3-(Dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea
CID 59268695
1-Benzyl-3-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]urea
CID 155206346
1-[4-[7-(Dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(pyridin-3-ylmethyl)urea
CID 155206347
1-[4-[7-(Dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 155206352
1-[4-[7-(Dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 155206353
1-[4-[7-(Dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(2-phenylethyl)urea
CID 155206367
1-Phenyl-3-[4-(7-pyrrolidin-1-ylquinazolin-4-yl)oxyphenyl]urea
CID 155206584

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(1,3-thiazol-2-ylmethyl)urea?
The IUPAC name of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(1,3-thiazol-2-ylmethyl)urea (CID 155206389) is 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(1,3-thiazol-2-ylmethyl)urea.
What is the SMILES notation for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(1,3-thiazol-2-ylmethyl)urea?
The canonical SMILES for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(1,3-thiazol-2-ylmethyl)urea is CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4nccs4)cc3)ncnc2c1.
What is the InChIKey of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(1,3-thiazol-2-ylmethyl)urea?
The InChIKey is YGJHCVYSLKGIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2S/c1-27(2)15-5-8-17-18(11-15)24-13-25-20(17)29-16-6-3-14(4-7-16)26-21(28)23-12-19-22-9-10-30-19/h3-11,13H,12H2,1-2H3,(H2,23,26,28).
What are the key properties of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(1,3-thiazol-2-ylmethyl)urea?
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(1,3-thiazol-2-ylmethyl)urea has a molecular weight of 420.50 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(1,3-thiazol-2-ylmethyl)urea is sourced from PubChem (CID 155206389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).