6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-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;6-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine

C159H208BrF6N45S18 — CID 157415590

IUPAC6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-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;6-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCC(C)c1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1.CC1(C)CN=C(N2CCN(c3ncnc4sc(Br)cc34)CC2)S1.CC1(C)CN=C(N2CCN(c3ncnc4sc(CCCC(F)(F)F)cc34)CC2)S1.CC1(C)CN=C(N2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)S1.CCCCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1.CCCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)nc(C)nc2s1.CCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1.CCc1cc2c(N3CCN(c4nccs4)CC3)ncnc2s1.C[C@H](c1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1)C(F)(F)F
InChIInChI=1S/C19H24F3N5S2.C19H25N5S2.2C19H27N5S2.C18H22F3N5S2.C18H25N5S2.C17H23N5S2.C15H18BrN5S2.C15H17N5S2/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;1-4-5-6-14-11-15-16(21-13-22-17(15)25-14)23-7-9-24(10-8-23)18-20-12-19(2,3)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;1-15(2)8-17-14(23-15)21-5-3-20(4-6-21)12-10-7-11(16)22-13(10)19-9-18-12;1-2-11-9-12-13(17-10-18-14(12)22-11)19-4-6-20(7-5-19)15-16-3-8-21-15/h10,12H,3-9,11H2,1-2H3;12H,3-11H2,1-2H3;11H,5-10,12H2,1-4H3;11,13H,4-10,12H2,1-3H3;8,10-11H,4-7,9H2,1-3H3;9,11-12H,5-8,10H2,1-4H3;9,11H,4-8,10H2,1-3H3;7,9H,3-6,8H2,1-2H3;3,8-10H,2,4-7H2,1H3/t;;;;11-;;;;/m....1..../s1
InChIKeyBOUPTKBPLJUBKC-GNXJVFDZSA-N
MW3520.83 g/mol
LogP34.08
Rot. Bonds22

About 6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-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;6-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine

6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-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;6-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 157415590) has the molecular formula C159H208BrF6N45S18 and a molecular weight of 3520.83 g/mol. Its IUPAC name is 6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-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;6-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-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;6-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID157415590
Molecular FormulaC159H208BrF6N45S18
Molecular Weight3520.83 g/mol
Exact Mass3516.17
IUPAC Name6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-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;6-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCC(C)c1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1.CC1(C)CN=C(N2CCN(c3ncnc4sc(Br)cc34)CC2)S1.CC1(C)CN=C(N2CCN(c3ncnc4sc(CCCC(F)(F)F)cc34)CC2)S1.CC1(C)CN=C(N2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)S1.CCCCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1.CCCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)nc(C)nc2s1.CCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1.CCc1cc2c(N3CCN(c4nccs4)CC3)ncnc2s1.C[C@H](c1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1)C(F)(F)F
InChIInChI=1S/C19H24F3N5S2.C19H25N5S2.2C19H27N5S2.C18H22F3N5S2.C18H25N5S2.C17H23N5S2.C15H18BrN5S2.C15H17N5S2/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;1-4-5-6-14-11-15-16(21-13-22-17(15)25-14)23-7-9-24(10-8-23)18-20-12-19(2,3)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;1-15(2)8-17-14(23-15)21-5-3-20(4-6-21)12-10-7-11(16)22-13(10)19-9-18-12;1-2-11-9-12-13(17-10-18-14(12)22-11)19-4-6-20(7-5-19)15-16-3-8-21-15/h10,12H,3-9,11H2,1-2H3;12H,3-11H2,1-2H3;11H,5-10,12H2,1-4H3;11,13H,4-10,12H2,1-3H3;8,10-11H,4-7,9H2,1-3H3;9,11-12H,5-8,10H2,1-4H3;9,11H,4-8,10H2,1-3H3;7,9H,3-6,8H2,1-2H3;3,8-10H,2,4-7H2,1H3/t;;;;11-;;;;/m....1..../s1
InChIKeyBOUPTKBPLJUBKC-GNXJVFDZSA-N
XLogP34.08
TPSA402.11 Ų
H-Bond Donors
H-Bond Acceptors63
Rotatable Bonds22
Heavy Atoms229
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003520.83
LogP ≤ 534.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1063

Analyze 6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-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;6-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-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;6-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-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;6-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 157415590) is 6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-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;6-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-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;6-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-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;6-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is CC(C)c1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1.CC1(C)CN=C(N2CCN(c3ncnc4sc(Br)cc34)CC2)S1.CC1(C)CN=C(N2CCN(c3ncnc4sc(CCCC(F)(F)F)cc34)CC2)S1.CC1(C)CN=C(N2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)S1.CCCCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1.CCCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)nc(C)nc2s1.CCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1.CCc1cc2c(N3CCN(c4nccs4)CC3)ncnc2s1.C[C@H](c1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1)C(F)(F)F.
What is the InChIKey of 6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-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;6-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is BOUPTKBPLJUBKC-GNXJVFDZSA-N. The full InChI is InChI=1S/C19H24F3N5S2.C19H25N5S2.2C19H27N5S2.C18H22F3N5S2.C18H25N5S2.C17H23N5S2.C15H18BrN5S2.C15H17N5S2/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;1-4-5-6-14-11-15-16(21-13-22-17(15)25-14)23-7-9-24(10-8-23)18-20-12-19(2,3)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;1-15(2)8-17-14(23-15)21-5-3-20(4-6-21)12-10-7-11(16)22-13(10)19-9-18-12;1-2-11-9-12-13(17-10-18-14(12)22-11)19-4-6-20(7-5-19)15-16-3-8-21-15/h10,12H,3-9,11H2,1-2H3;12H,3-11H2,1-2H3;11H,5-10,12H2,1-4H3;11,13H,4-10,12H2,1-3H3;8,10-11H,4-7,9H2,1-3H3;9,11-12H,5-8,10H2,1-4H3;9,11H,4-8,10H2,1-3H3;7,9H,3-6,8H2,1-2H3;3,8-10H,2,4-7H2,1H3/t;;;;11-;;;;/m....1..../s1.
What are the key properties of 6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-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;6-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-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;6-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 3520.83 g/mol, XLogP of 34.08, 22 rotatable bonds, 0 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;6-butyl-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-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;6-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 157415590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).