4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]thieno[2,3-d]pyrimidine

C110H146F6N30S12 — CID 162178444

About 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]thieno[2,3-d]pyrimidine

4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]thieno[2,3-d]pyrimidine (PubChem CID 162178444) has the molecular formula C110H146F6N30S12 and a molecular weight of 2387.38 g/mol. Its IUPAC name is 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]thieno[2,3-d]pyrimidine
• PubChem CID: 162178444
• Molecular Formula: C110H146F6N30S12
• Molecular Weight: 2387.38 g/mol
• Exact Mass: 2384.89
• IUPAC Name: 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]thieno[2,3-d]pyrimidine
• SMILES: CC(C)c1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1.CC1(C)CN=C(N2CCN(c3ncnc4sc(CCCC(F)(F)F)cc34)CC2)S1.CC1(C)CN=C(N2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)S1.CCCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)nc(C)nc2s1.CCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1.C[C@H](c1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1)C(F)(F)F
• InChI: InChI=1S/C19H24F3N5S2.C19H25N5S2.C19H27N5S2.C18H22F3N5S2.C18H25N5S2.C17H23N5S2/c1-18(2)11-23-17(29-18)27-8-6-26(7-9-27)15-14-10-13(4-3-5-19(20,21)22)28-16(14)25-12-24-15;1-19(2)11-20-18(26-19)24-9-7-23(8-10-24)16-15-13-5-3-4-6-14(13)25-17(15)22-12-21-16;1-5-6-14-11-15-16(21-13(2)22-17(15)25-14)23-7-9-24(10-8-23)18-20-12-19(3,4)26-18;1-11(18(19,20)21)13-8-12-14(23-10-24-15(12)27-13)25-4-6-26(7-5-25)16-22-9-17(2,3)28-16;1-12(2)14-9-13-15(20-11-21-16(13)24-14)22-5-7-23(8-6-22)17-19-10-18(3,4)25-17;1-4-12-9-13-14(19-11-20-15(13)23-12)21-5-7-22(8-6-21)16-18-10-17(2,3)24-16/h10,12H,3-9,11H2,1-2H3;12H,3-11H2,1-2H3;11H,5-10,12H2,1-4H3;8,10-11H,4-7,9H2,1-3H3;9,11-12H,5-8,10H2,1-4H3;9,11H,4-8,10H2,1-3H3/t;;;11-;;/m...1../s1
• InChIKey: ZORXVRBDOUQDHJ-ISXKTASQSA-N
• XLogP: 23.54
• TPSA: 267.72 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 14
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2387.38
LogP ≤ 5	23.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]thieno[2,3-d]pyrimidine?

The IUPAC name of 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]thieno[2,3-d]pyrimidine (CID 162178444) is 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]thieno[2,3-d]pyrimidine.

What is the SMILES notation for 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]thieno[2,3-d]pyrimidine?

The canonical SMILES for 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]thieno[2,3-d]pyrimidine is CC(C)c1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1.CC1(C)CN=C(N2CCN(c3ncnc4sc(CCCC(F)(F)F)cc34)CC2)S1.CC1(C)CN=C(N2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)S1.CCCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)nc(C)nc2s1.CCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1.C[C@H](c1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1)C(F)(F)F.

What is the InChIKey of 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]thieno[2,3-d]pyrimidine?

The InChIKey is ZORXVRBDOUQDHJ-ISXKTASQSA-N. The full InChI is InChI=1S/C19H24F3N5S2.C19H25N5S2.C19H27N5S2.C18H22F3N5S2.C18H25N5S2.C17H23N5S2/c1-18(2)11-23-17(29-18)27-8-6-26(7-9-27)15-14-10-13(4-3-5-19(20,21)22)28-16(14)25-12-24-15;1-19(2)11-20-18(26-19)24-9-7-23(8-10-24)16-15-13-5-3-4-6-14(13)25-17(15)22-12-21-16;1-5-6-14-11-15-16(21-13(2)22-17(15)25-14)23-7-9-24(10-8-23)18-20-12-19(3,4)26-18;1-11(18(19,20)21)13-8-12-14(23-10-24-15(12)27-13)25-4-6-26(7-5-25)16-22-9-17(2,3)28-16;1-12(2)14-9-13-15(20-11-21-16(13)24-14)22-5-7-23(8-6-22)17-19-10-18(3,4)25-17;1-4-12-9-13-14(19-11-20-15(13)23-12)21-5-7-22(8-6-21)16-18-10-17(2,3)24-16/h10,12H,3-9,11H2,1-2H3;12H,3-11H2,1-2H3;11H,5-10,12H2,1-4H3;8,10-11H,4-7,9H2,1-3H3;9,11-12H,5-8,10H2,1-4H3;9,11H,4-8,10H2,1-3H3/t;;;11-;;/m...1../s1.

What are the key properties of 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]thieno[2,3-d]pyrimidine?

4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]thieno[2,3-d]pyrimidine has a molecular weight of 2387.38 g/mol, XLogP of 23.54, 14 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-2-methyl-6-propylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine;4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 162178444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).