1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)urea

C72H66Cl2FN21O6S3 — CID 158045696

IUPAC1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)urea
SMILESNc1nccc(-c2nc(N3CCOCC3)sc2-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1.Nc1nccc(-c2nc(N3CCOCC3)sc2-c2cccc(NC(=O)Nc3ccc(F)cc3)c2)n1.Nc1nccc(-c2nc(N3CCOCC3)sc2-c2cccc(NC(=O)Nc3cccc(Cl)c3)c2)n1
InChIInChI=1S/2C24H22ClN7O2S.C24H22FN7O2S/c25-16-4-2-6-18(14-16)29-23(33)28-17-5-1-3-15(13-17)21-20(19-7-8-27-22(26)30-19)31-24(35-21)32-9-11-34-12-10-32;2*25-16-4-6-17(7-5-16)28-23(33)29-18-3-1-2-15(14-18)21-20(19-8-9-27-22(26)30-19)31-24(35-21)32-10-12-34-13-11-32/h1-8,13-14H,9-12H2,(H2,26,27,30)(H2,28,29,33);2*1-9,14H,10-13H2,(H2,26,27,30)(H2,28,29,33)
InChIKeyFIWNZNIZVDOLAA-UHFFFAOYSA-N
MW1507.57 g/mol
LogP14.44
Rot. Bonds15

About 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)urea

1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)urea (PubChem CID 158045696) has the molecular formula C72H66Cl2FN21O6S3 and a molecular weight of 1507.57 g/mol. Its IUPAC name is 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)urea
PubChem CID158045696
Molecular FormulaC72H66Cl2FN21O6S3
Molecular Weight1507.57 g/mol
Exact Mass1505.40
IUPAC Name1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)urea
SMILESNc1nccc(-c2nc(N3CCOCC3)sc2-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1.Nc1nccc(-c2nc(N3CCOCC3)sc2-c2cccc(NC(=O)Nc3ccc(F)cc3)c2)n1.Nc1nccc(-c2nc(N3CCOCC3)sc2-c2cccc(NC(=O)Nc3cccc(Cl)c3)c2)n1
InChIInChI=1S/2C24H22ClN7O2S.C24H22FN7O2S/c25-16-4-2-6-18(14-16)29-23(33)28-17-5-1-3-15(13-17)21-20(19-7-8-27-22(26)30-19)31-24(35-21)32-9-11-34-12-10-32;2*25-16-4-6-17(7-5-16)28-23(33)29-18-3-1-2-15(14-18)21-20(19-8-9-27-22(26)30-19)31-24(35-21)32-10-12-34-13-11-32/h1-8,13-14H,9-12H2,(H2,26,27,30)(H2,28,29,33);2*1-9,14H,10-13H2,(H2,26,27,30)(H2,28,29,33)
InChIKeyFIWNZNIZVDOLAA-UHFFFAOYSA-N
XLogP14.44
TPSA354.87 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001507.57
LogP ≤ 514.44
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)urea 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

1-[5-[4-(2-Aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]cyclohexa-1,3-dien-1-yl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one
CID 68351419
1-[3-[4-(2-Aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chlorophenyl)urea
CID 68351471
1-[3-[4-(2-Aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea
CID 68351472
1-[3-[4-(2-Aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chloro-2-fluorophenyl)urea
CID 68351473
1-[5-[4-(2-Aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea
CID 68351477
1-[3-[4-(2-Aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chloro-2-fluorophenyl)urea
CID 68351485
1-[3-[4-(2-Aminopyrimidin-4-yl)-2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)urea
CID 68351499
1-[5-[4-(2-Aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chlorophenyl)urea
CID 68351501
1-[5-[4-(2-Aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorocyclohexa-1,3-dien-1-yl]-3-(4-chlorophenyl)imidazolidin-2-one
CID 68351542
1-[5-[4-(2-Aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorocyclohexa-1,3-dien-1-yl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one
CID 68351551
1-[5-[4-(2-Aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-6-fluorocyclohexa-1,3-dien-1-yl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one
CID 68351780
1-[5-[4-(2-Aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-6-fluorocyclohexa-1,3-dien-1-yl]-3-(4-chlorophenyl)imidazolidin-2-one
CID 68351806

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)urea (CID 158045696) is 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)urea is Nc1nccc(-c2nc(N3CCOCC3)sc2-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1.Nc1nccc(-c2nc(N3CCOCC3)sc2-c2cccc(NC(=O)Nc3ccc(F)cc3)c2)n1.Nc1nccc(-c2nc(N3CCOCC3)sc2-c2cccc(NC(=O)Nc3cccc(Cl)c3)c2)n1.
What is the InChIKey of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)urea?
The InChIKey is FIWNZNIZVDOLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H22ClN7O2S.C24H22FN7O2S/c25-16-4-2-6-18(14-16)29-23(33)28-17-5-1-3-15(13-17)21-20(19-7-8-27-22(26)30-19)31-24(35-21)32-9-11-34-12-10-32;2*25-16-4-6-17(7-5-16)28-23(33)29-18-3-1-2-15(14-18)21-20(19-8-9-27-22(26)30-19)31-24(35-21)32-10-12-34-13-11-32/h1-8,13-14H,9-12H2,(H2,26,27,30)(H2,28,29,33);2*1-9,14H,10-13H2,(H2,26,27,30)(H2,28,29,33).
What are the key properties of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)urea?
1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)urea has a molecular weight of 1507.57 g/mol, XLogP of 14.44, 15 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 158045696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).