1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-methoxy-4-methyl-1-[2-(2-trityl-1,3-thiazol-4-yl)ethyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

C77H73F6N15OS4 — CID 159563511

About 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-methoxy-4-methyl-1-[2-(2-trityl-1,3-thiazol-4-yl)ethyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-methoxy-4-methyl-1-[2-(2-trityl-1,3-thiazol-4-yl)ethyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 159563511) has the molecular formula C77H73F6N15OS4 and a molecular weight of 1466.79 g/mol. Its IUPAC name is 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-methoxy-4-methyl-1-[2-(2-trityl-1,3-thiazol-4-yl)ethyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-methoxy-4-methyl-1-[2-(2-trityl-1,3-thiazol-4-yl)ethyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 159563511
• Molecular Formula: C77H73F6N15OS4
• Molecular Weight: 1466.79 g/mol
• Exact Mass: 1465.49
• IUPAC Name: 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-methoxy-4-methyl-1-[2-(2-trityl-1,3-thiazol-4-yl)ethyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: COc1ccc2c(cc(C#N)n2CCc2csc(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1C.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CCc1csc(N)n1.FC(F)(F)Cc1cc2c(NC3CCNCC3)ncnc2s1
• InChI: InChI=1S/C35H29N3OS.C29H29F3N8S2.C13H15F3N4S/c1-25-31-22-30(23-36)38(32(31)18-19-33(25)39-2)21-20-29-24-40-34(37-29)35(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;1-17-18(2-3-25-23(17)10-21(13-33)40(25)9-6-20-15-41-28(34)38-20)14-39-7-4-19(5-8-39)37-26-24-11-22(12-29(30,31)32)42-27(24)36-16-35-26;14-13(15,16)6-9-5-10-11(18-7-19-12(10)21-9)20-8-1-3-17-4-2-8/h3-19,22,24H,20-21H2,1-2H3;2-3,10-11,15-16,19H,4-9,12,14H2,1H3,(H2,34,38)(H,35,36,37);5,7-8,17H,1-4,6H2,(H,18,19,20)
• InChIKey: MGXNOIJOVXRZQU-UHFFFAOYSA-N
• XLogP: 17.16
• TPSA: 209.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1466.79
LogP ≤ 5	17.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-methoxy-4-methyl-1-[2-(2-trityl-1,3-thiazol-4-yl)ethyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-methoxy-4-methyl-1-[2-(2-trityl-1,3-thiazol-4-yl)ethyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 159563511) is 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-methoxy-4-methyl-1-[2-(2-trityl-1,3-thiazol-4-yl)ethyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-methoxy-4-methyl-1-[2-(2-trityl-1,3-thiazol-4-yl)ethyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-methoxy-4-methyl-1-[2-(2-trityl-1,3-thiazol-4-yl)ethyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is COc1ccc2c(cc(C#N)n2CCc2csc(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1C.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CCc1csc(N)n1.FC(F)(F)Cc1cc2c(NC3CCNCC3)ncnc2s1.

What is the InChIKey of 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-methoxy-4-methyl-1-[2-(2-trityl-1,3-thiazol-4-yl)ethyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is MGXNOIJOVXRZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N3OS.C29H29F3N8S2.C13H15F3N4S/c1-25-31-22-30(23-36)38(32(31)18-19-33(25)39-2)21-20-29-24-40-34(37-29)35(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;1-17-18(2-3-25-23(17)10-21(13-33)40(25)9-6-20-15-41-28(34)38-20)14-39-7-4-19(5-8-39)37-26-24-11-22(12-29(30,31)32)42-27(24)36-16-35-26;14-13(15,16)6-9-5-10-11(18-7-19-12(10)21-9)20-8-1-3-17-4-2-8/h3-19,22,24H,20-21H2,1-2H3;2-3,10-11,15-16,19H,4-9,12,14H2,1H3,(H2,34,38)(H,35,36,37);5,7-8,17H,1-4,6H2,(H,18,19,20).

What are the key properties of 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-methoxy-4-methyl-1-[2-(2-trityl-1,3-thiazol-4-yl)ethyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?

1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-methoxy-4-methyl-1-[2-(2-trityl-1,3-thiazol-4-yl)ethyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 1466.79 g/mol, XLogP of 17.16, 19 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-methoxy-4-methyl-1-[2-(2-trityl-1,3-thiazol-4-yl)ethyl]indole-2-carbonitrile;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159563511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).