N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine

C72H56Br2F18N16O2S4 — CID 161144475

About N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine

N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine (PubChem CID 161144475) has the molecular formula C72H56Br2F18N16O2S4 and a molecular weight of 1807.39 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine
• PubChem CID: 161144475
• Molecular Formula: C72H56Br2F18N16O2S4
• Molecular Weight: 1807.39 g/mol
• Exact Mass: 1804.17
• IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine
• SMILES: C=Cc1sc(-c2ccnc(Nc3cc(Br)cc(C(F)(F)F)c3)n2)nc1C.C=Cc1sc(-c2ccnc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)nc1C.COCCc1sc(-c2ccnc(Nc3cc(Br)cc(C(F)(F)F)c3)n2)nc1C.COCCc1sc(-c2ccnc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)nc1C
• InChI: InChI=1S/C19H16F6N4OS.C18H16BrF3N4OS.C18H12F6N4S.C17H12BrF3N4S/c1-10-15(4-6-30-2)31-16(27-10)14-3-5-26-17(29-14)28-13-8-11(18(20,21)22)7-12(9-13)19(23,24)25;1-10-15(4-6-27-2)28-16(24-10)14-3-5-23-17(26-14)25-13-8-11(18(20,21)22)7-12(19)9-13;1-3-14-9(2)26-15(29-14)13-4-5-25-16(28-13)27-12-7-10(17(19,20)21)6-11(8-12)18(22,23)24;1-3-14-9(2)23-15(26-14)13-4-5-22-16(25-13)24-12-7-10(17(19,20)21)6-11(18)8-12/h3,5,7-9H,4,6H2,1-2H3,(H,26,28,29);3,5,7-9H,4,6H2,1-2H3,(H,23,25,26);3-8H,1H2,2H3,(H,25,27,28);3-8H,1H2,2H3,(H,22,24,25)
• InChIKey: UNWDAUKLEUKFRF-UHFFFAOYSA-N
• XLogP: 23.91
• TPSA: 221.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1807.39
LogP ≤ 5	23.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine?

The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine (CID 161144475) is N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine.

What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine?

The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine is C=Cc1sc(-c2ccnc(Nc3cc(Br)cc(C(F)(F)F)c3)n2)nc1C.C=Cc1sc(-c2ccnc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)nc1C.COCCc1sc(-c2ccnc(Nc3cc(Br)cc(C(F)(F)F)c3)n2)nc1C.COCCc1sc(-c2ccnc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)nc1C.

What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine?

The InChIKey is UNWDAUKLEUKFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N4OS.C18H16BrF3N4OS.C18H12F6N4S.C17H12BrF3N4S/c1-10-15(4-6-30-2)31-16(27-10)14-3-5-26-17(29-14)28-13-8-11(18(20,21)22)7-12(9-13)19(23,24)25;1-10-15(4-6-27-2)28-16(24-10)14-3-5-23-17(26-14)25-13-8-11(18(20,21)22)7-12(19)9-13;1-3-14-9(2)26-15(29-14)13-4-5-25-16(28-13)27-12-7-10(17(19,20)21)6-11(8-12)18(22,23)24;1-3-14-9(2)23-15(26-14)13-4-5-22-16(25-13)24-12-7-10(17(19,20)21)6-11(18)8-12/h3,5,7-9H,4,6H2,1-2H3,(H,26,28,29);3,5,7-9H,4,6H2,1-2H3,(H,23,25,26);3-8H,1H2,2H3,(H,25,27,28);3-8H,1H2,2H3,(H,22,24,25).

What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine?

N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine has a molecular weight of 1807.39 g/mol, XLogP of 23.91, 20 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-bromo-5-(trifluoromethyl)phenyl]-4-[5-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 161144475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).