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

C73H66Cl2F3N21O7S3 — CID 160665785

IUPAC1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(-c3sc(N4CCOCC4)nc3-c3ccnc(N)n3)ccc2F)cc1.Nc1nccc(-c2nc(N3CCOCC3)sc2-c2ccc(F)c(NC(=O)Nc3ccc(Cl)cc3)c2)n1.Nc1nccc(-c2nc(N3CCOCC3)sc2-c2ccc(F)c(NC(=O)Nc3cccc(Cl)c3)c2)n1
InChIInChI=1S/C25H24FN7O3S.2C24H21ClFN7O2S/c1-35-17-5-3-16(4-6-17)29-24(34)31-20-14-15(2-7-18(20)26)22-21(19-8-9-28-23(27)30-19)32-25(37-22)33-10-12-36-13-11-33;25-15-2-4-16(5-3-15)29-23(34)31-19-13-14(1-6-17(19)26)21-20(18-7-8-28-22(27)30-18)32-24(36-21)33-9-11-35-12-10-33;25-15-2-1-3-16(13-15)29-23(34)31-19-12-14(4-5-17(19)26)21-20(18-6-7-28-22(27)30-18)32-24(36-21)33-8-10-35-11-9-33/h2-9,14H,10-13H2,1H3,(H2,27,28,30)(H2,29,31,34);1-8,13H,9-12H2,(H2,27,28,30)(H2,29,31,34);1-7,12-13H,8-11H2,(H2,27,28,30)(H2,29,31,34)
InChIKeyRMGWFPWTGYIIRO-UHFFFAOYSA-N
MW1573.57 g/mol
LogP14.72
Rot. Bonds16

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

1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)urea (PubChem CID 160665785) has the molecular formula C73H66Cl2F3N21O7S3 and a molecular weight of 1573.57 g/mol. Its IUPAC name is 1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)urea
PubChem CID160665785
Molecular FormulaC73H66Cl2F3N21O7S3
Molecular Weight1573.57 g/mol
Exact Mass1571.39
IUPAC Name1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(-c3sc(N4CCOCC4)nc3-c3ccnc(N)n3)ccc2F)cc1.Nc1nccc(-c2nc(N3CCOCC3)sc2-c2ccc(F)c(NC(=O)Nc3ccc(Cl)cc3)c2)n1.Nc1nccc(-c2nc(N3CCOCC3)sc2-c2ccc(F)c(NC(=O)Nc3cccc(Cl)c3)c2)n1
InChIInChI=1S/C25H24FN7O3S.2C24H21ClFN7O2S/c1-35-17-5-3-16(4-6-17)29-24(34)31-20-14-15(2-7-18(20)26)22-21(19-8-9-28-23(27)30-19)32-25(37-22)33-10-12-36-13-11-33;25-15-2-4-16(5-3-15)29-23(34)31-19-13-14(1-6-17(19)26)21-20(18-7-8-28-22(27)30-18)32-24(36-21)33-9-11-35-12-10-33;25-15-2-1-3-16(13-15)29-23(34)31-19-12-14(4-5-17(19)26)21-20(18-6-7-28-22(27)30-18)32-24(36-21)33-8-10-35-11-9-33/h2-9,14H,10-13H2,1H3,(H2,27,28,30)(H2,29,31,34);1-8,13H,9-12H2,(H2,27,28,30)(H2,29,31,34);1-7,12-13H,8-11H2,(H2,27,28,30)(H2,29,31,34)
InChIKeyRMGWFPWTGYIIRO-UHFFFAOYSA-N
XLogP14.72
TPSA364.10 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001573.57
LogP ≤ 514.72
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

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

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Related Compounds

N-[3-(5-{2-[(3-chloro-4-{[2-(dimethylamino)ethyl]oxy}phenyl)amino]-4-pyrimidinyl}-2-methyl-1,3-thiazol-4-yl)phenyl]-N'-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 58236917
N-[3-[5-[2-[3-chloro-4-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide
CID 67104830
1-[5-[4-(2-Aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one
CID 68351543
1-[3-[4-(2-Aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)urea
CID 90326667
1-[3-[4-(2-Aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one
CID 90326675
1-[5-[4-(2-Aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)urea
CID 90326681
1-[3-[2-[2-[2-Amino-6-[5-[3-[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]-2-fluorophenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 123227880
1-[3-[2-[2-[2-Amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)imidazolidin-2-one
CID 123380368
1-[3-[2-[2-[2-Amino-6-[5-[3-[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 123385362
1-[5-[2-[2-[2-Amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-4-fluorophenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one
CID 123513248
1-[5-[4-[2-Amino-6-[4-[4-(2-aminopyrimidin-4-yl)-5-[4-fluoro-3-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]phenyl]-1,3-thiazol-2-yl]morpholin-2-yl]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one
CID 123656840
1-[3-[2-[2-[2-Amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-fluorophenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one
CID 123821179

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)urea (CID 160665785) is 1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2cc(-c3sc(N4CCOCC4)nc3-c3ccnc(N)n3)ccc2F)cc1.Nc1nccc(-c2nc(N3CCOCC3)sc2-c2ccc(F)c(NC(=O)Nc3ccc(Cl)cc3)c2)n1.Nc1nccc(-c2nc(N3CCOCC3)sc2-c2ccc(F)c(NC(=O)Nc3cccc(Cl)c3)c2)n1.
What is the InChIKey of 1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)urea?
The InChIKey is RMGWFPWTGYIIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O3S.2C24H21ClFN7O2S/c1-35-17-5-3-16(4-6-17)29-24(34)31-20-14-15(2-7-18(20)26)22-21(19-8-9-28-23(27)30-19)32-25(37-22)33-10-12-36-13-11-33;25-15-2-4-16(5-3-15)29-23(34)31-19-13-14(1-6-17(19)26)21-20(18-7-8-28-22(27)30-18)32-24(36-21)33-9-11-35-12-10-33;25-15-2-1-3-16(13-15)29-23(34)31-19-12-14(4-5-17(19)26)21-20(18-6-7-28-22(27)30-18)32-24(36-21)33-8-10-35-11-9-33/h2-9,14H,10-13H2,1H3,(H2,27,28,30)(H2,29,31,34);1-8,13H,9-12H2,(H2,27,28,30)(H2,29,31,34);1-7,12-13H,8-11H2,(H2,27,28,30)(H2,29,31,34).
What are the key properties of 1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)urea?
1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)urea has a molecular weight of 1573.57 g/mol, XLogP of 14.72, 16 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(3-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 160665785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).