4-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

C83H103F12N17S5 — CID 165014303

IUPAC4-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
SMILESCC(C)CN1CCC2(CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)C1.CC(C)N1CCC2(CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)C1.CC1(C)CN=C(N2CCC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)CC3)C2)S1.FC(F)(F)Cc1cc2c(N3CCC4(CCN(Cc5ccccc5)C4)CC3)ncnc2s1
InChIInChI=1S/C23H25F3N4S.C21H26F3N5S2.C20H27F3N4S.C19H25F3N4S/c24-23(25,26)13-18-12-19-20(27-16-28-21(19)31-18)30-10-7-22(8-11-30)6-9-29(15-22)14-17-4-2-1-3-5-17;1-19(2)11-25-18(31-19)29-8-5-20(12-29)3-6-28(7-4-20)16-15-9-14(10-21(22,23)24)30-17(15)27-13-26-16;1-14(2)11-26-6-3-19(12-26)4-7-27(8-5-19)17-16-9-15(10-20(21,22)23)28-18(16)25-13-24-17;1-13(2)26-8-5-18(11-26)3-6-25(7-4-18)16-15-9-14(10-19(20,21)22)27-17(15)24-12-23-16/h1-5,12,16H,6-11,13-15H2;9,13H,3-8,10-12H2,1-2H3;9,13-14H,3-8,10-12H2,1-2H3;9,12-13H,3-8,10-11H2,1-2H3
InChIKeyKEHPTNYOKADDJR-UHFFFAOYSA-N
MW1727.17 g/mol
LogP19.50
Rot. Bonds13

About 4-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

4-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine (PubChem CID 165014303) has the molecular formula C83H103F12N17S5 and a molecular weight of 1727.17 g/mol. Its IUPAC name is 4-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
PubChem CID165014303
Molecular FormulaC83H103F12N17S5
Molecular Weight1727.17 g/mol
Exact Mass1725.70
IUPAC Name4-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
SMILESCC(C)CN1CCC2(CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)C1.CC(C)N1CCC2(CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)C1.CC1(C)CN=C(N2CCC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)CC3)C2)S1.FC(F)(F)Cc1cc2c(N3CCC4(CCN(Cc5ccccc5)C4)CC3)ncnc2s1
InChIInChI=1S/C23H25F3N4S.C21H26F3N5S2.C20H27F3N4S.C19H25F3N4S/c24-23(25,26)13-18-12-19-20(27-16-28-21(19)31-18)30-10-7-22(8-11-30)6-9-29(15-22)14-17-4-2-1-3-5-17;1-19(2)11-25-18(31-19)29-8-5-20(12-29)3-6-28(7-4-20)16-15-9-14(10-21(22,23)24)30-17(15)27-13-26-16;1-14(2)11-26-6-3-19(12-26)4-7-27(8-5-19)17-16-9-15(10-20(21,22)23)28-18(16)25-13-24-17;1-13(2)26-8-5-18(11-26)3-6-25(7-4-18)16-15-9-14(10-19(20,21)22)27-17(15)24-12-23-16/h1-5,12,16H,6-11,13-15H2;9,13H,3-8,10-12H2,1-2H3;9,13-14H,3-8,10-12H2,1-2H3;9,12-13H,3-8,10-11H2,1-2H3
InChIKeyKEHPTNYOKADDJR-UHFFFAOYSA-N
XLogP19.50
TPSA141.40 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001727.17
LogP ≤ 519.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 4-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine 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 4-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine (CID 165014303) is 4-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine is CC(C)CN1CCC2(CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)C1.CC(C)N1CCC2(CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)C1.CC1(C)CN=C(N2CCC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)CC3)C2)S1.FC(F)(F)Cc1cc2c(N3CCC4(CCN(Cc5ccccc5)C4)CC3)ncnc2s1.
What is the InChIKey of 4-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
The InChIKey is KEHPTNYOKADDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4S.C21H26F3N5S2.C20H27F3N4S.C19H25F3N4S/c24-23(25,26)13-18-12-19-20(27-16-28-21(19)31-18)30-10-7-22(8-11-30)6-9-29(15-22)14-17-4-2-1-3-5-17;1-19(2)11-25-18(31-19)29-8-5-20(12-29)3-6-28(7-4-20)16-15-9-14(10-21(22,23)24)30-17(15)27-13-26-16;1-14(2)11-26-6-3-19(12-26)4-7-27(8-5-19)17-16-9-15(10-20(21,22)23)28-18(16)25-13-24-17;1-13(2)26-8-5-18(11-26)3-6-25(7-4-18)16-15-9-14(10-19(20,21)22)27-17(15)24-12-23-16/h1-5,12,16H,6-11,13-15H2;9,13H,3-8,10-12H2,1-2H3;9,13-14H,3-8,10-12H2,1-2H3;9,12-13H,3-8,10-11H2,1-2H3.
What are the key properties of 4-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
4-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine has a molecular weight of 1727.17 g/mol, XLogP of 19.50, 13 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 165014303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).