1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one

C77H73Cl3F2N18O3S3 — CID 160613740

IUPAC1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one
SMILESCC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2cccc(N3CCN(c4ccc(Cl)c(Cl)c4)C3=O)c2)s1.CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2cccc(N3CCN(c4ccc(F)cc4Cl)C3=O)c2)s1.Cc1ccc(NC(=O)Nc2cccc(-c3sc(C(C)(C)C)nc3-c3ccnc(N)n3)c2F)cc1
InChIInChI=1S/C26H24Cl2N6OS.C26H24ClFN6OS.C25H25FN6OS/c1-26(2,3)23-32-21(20-9-10-30-24(29)31-20)22(36-23)15-5-4-6-16(13-15)33-11-12-34(25(33)35)17-7-8-18(27)19(28)14-17;1-26(2,3)23-32-21(19-9-10-30-24(29)31-19)22(36-23)15-5-4-6-17(13-15)33-11-12-34(25(33)35)20-8-7-16(28)14-18(20)27;1-14-8-10-15(11-9-14)29-24(33)31-17-7-5-6-16(19(17)26)21-20(18-12-13-28-23(27)30-18)32-22(34-21)25(2,3)4/h2*4-10,13-14H,11-12H2,1-3H3,(H2,29,30,31);5-13H,1-4H3,(H2,27,28,30)(H2,29,31,33)
InChIKeyRFUVFTRSYIJWRU-UHFFFAOYSA-N
MW1539.11 g/mol
LogP19.52
Rot. Bonds12

About 1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one

1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one (PubChem CID 160613740) has the molecular formula C77H73Cl3F2N18O3S3 and a molecular weight of 1539.11 g/mol. Its IUPAC name is 1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one
PubChem CID160613740
Molecular FormulaC77H73Cl3F2N18O3S3
Molecular Weight1539.11 g/mol
Exact Mass1536.43
IUPAC Name1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one
SMILESCC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2cccc(N3CCN(c4ccc(Cl)c(Cl)c4)C3=O)c2)s1.CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2cccc(N3CCN(c4ccc(F)cc4Cl)C3=O)c2)s1.Cc1ccc(NC(=O)Nc2cccc(-c3sc(C(C)(C)C)nc3-c3ccnc(N)n3)c2F)cc1
InChIInChI=1S/C26H24Cl2N6OS.C26H24ClFN6OS.C25H25FN6OS/c1-26(2,3)23-32-21(20-9-10-30-24(29)31-20)22(36-23)15-5-4-6-16(13-15)33-11-12-34(25(33)35)17-7-8-18(27)19(28)14-17;1-26(2,3)23-32-21(19-9-10-30-24(29)31-19)22(36-23)15-5-4-6-17(13-15)33-11-12-34(25(33)35)20-8-7-16(28)14-18(20)27;1-14-8-10-15(11-9-14)29-24(33)31-17-7-5-6-16(19(17)26)21-20(18-12-13-28-23(27)30-18)32-22(34-21)25(2,3)4/h2*4-10,13-14H,11-12H2,1-3H3,(H2,29,30,31);5-13H,1-4H3,(H2,27,28,30)(H2,29,31,33)
InChIKeyRFUVFTRSYIJWRU-UHFFFAOYSA-N
XLogP19.52
TPSA282.30 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001539.11
LogP ≤ 519.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one?
The IUPAC name of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one (CID 160613740) is 1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one is CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2cccc(N3CCN(c4ccc(Cl)c(Cl)c4)C3=O)c2)s1.CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2cccc(N3CCN(c4ccc(F)cc4Cl)C3=O)c2)s1.Cc1ccc(NC(=O)Nc2cccc(-c3sc(C(C)(C)C)nc3-c3ccnc(N)n3)c2F)cc1.
What is the InChIKey of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one?
The InChIKey is RFUVFTRSYIJWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N6OS.C26H24ClFN6OS.C25H25FN6OS/c1-26(2,3)23-32-21(20-9-10-30-24(29)31-20)22(36-23)15-5-4-6-16(13-15)33-11-12-34(25(33)35)17-7-8-18(27)19(28)14-17;1-26(2,3)23-32-21(19-9-10-30-24(29)31-19)22(36-23)15-5-4-6-17(13-15)33-11-12-34(25(33)35)20-8-7-16(28)14-18(20)27;1-14-8-10-15(11-9-14)29-24(33)31-17-7-5-6-16(19(17)26)21-20(18-12-13-28-23(27)30-18)32-22(34-21)25(2,3)4/h2*4-10,13-14H,11-12H2,1-3H3,(H2,29,30,31);5-13H,1-4H3,(H2,27,28,30)(H2,29,31,33).
What are the key properties of 1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one?
1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one has a molecular weight of 1539.11 g/mol, XLogP of 19.52, 12 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 160613740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).