2-[[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen

C72H74ClF14N19O6S2 — CID 162229648

About 2-[[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen

2-[[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen (PubChem CID 162229648) has the molecular formula C72H74ClF14N19O6S2 and a molecular weight of 1667.07 g/mol. Its IUPAC name is 2-[[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen
• PubChem CID: 162229648
• Molecular Formula: C72H74ClF14N19O6S2
• Molecular Weight: 1667.07 g/mol
• Exact Mass: 1665.50
• IUPAC Name: 2-[[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen
• SMILES: CC(C)(Nc1ccnc(-c2ccc3ncsc3c2)n1)C(=O)NCC(F)(F)F.CC(C)(Nc1nc(-c2c[nH]c3ccc(Cl)cc23)ncc1F)C(=O)NCC(F)(F)F.O=C(NCC(F)(F)F)[C@H]1CCCN1c1ccnc(-c2ccc3ncsc3c2)n1.O=C(NCC(F)(F)F)[C@H]1CCCN1c1nc(-c2ccc3c(c2)OCCO3)ncc1F.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C19H18F4N4O3.C18H16ClF4N5O.C18H16F3N5OS.C17H16F3N5OS.4H2/c20-12-9-24-16(11-3-4-14-15(8-11)30-7-6-29-14)26-17(12)27-5-1-2-13(27)18(28)25-10-19(21,22)23;1-17(2,16(29)26-8-18(21,22)23)28-15-12(20)7-25-14(27-15)11-6-24-13-4-3-9(19)5-10(11)13;19-18(20,21)9-23-17(27)13-2-1-7-26(13)15-5-6-22-16(25-15)11-3-4-12-14(8-11)28-10-24-12;1-16(2,15(26)22-8-17(18,19)20)25-13-5-6-21-14(24-13)10-3-4-11-12(7-10)27-9-23-11;;;;/h3-4,8-9,13H,1-2,5-7,10H2,(H,25,28);3-7,24H,8H2,1-2H3,(H,26,29)(H,25,27,28);3-6,8,10,13H,1-2,7,9H2,(H,23,27);3-7,9H,8H2,1-2H3,(H,22,26)(H,21,24,25);4*1H/t13-;;13-;;;;;/m1.1...../s1
• InChIKey: ZVFZDOHEVILJLJ-QPGKZKAHSA-N
• XLogP: 14.99
• TPSA: 310.09 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1667.07
LogP ≤ 5	14.99
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen?

The IUPAC name of 2-[[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen (CID 162229648) is 2-[[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen.

What is the SMILES notation for 2-[[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen?

The canonical SMILES for 2-[[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen is CC(C)(Nc1ccnc(-c2ccc3ncsc3c2)n1)C(=O)NCC(F)(F)F.CC(C)(Nc1nc(-c2c[nH]c3ccc(Cl)cc23)ncc1F)C(=O)NCC(F)(F)F.O=C(NCC(F)(F)F)[C@H]1CCCN1c1ccnc(-c2ccc3ncsc3c2)n1.O=C(NCC(F)(F)F)[C@H]1CCCN1c1nc(-c2ccc3c(c2)OCCO3)ncc1F.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-[[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen?

The InChIKey is ZVFZDOHEVILJLJ-QPGKZKAHSA-N. The full InChI is InChI=1S/C19H18F4N4O3.C18H16ClF4N5O.C18H16F3N5OS.C17H16F3N5OS.4H2/c20-12-9-24-16(11-3-4-14-15(8-11)30-7-6-29-14)26-17(12)27-5-1-2-13(27)18(28)25-10-19(21,22)23;1-17(2,16(29)26-8-18(21,22)23)28-15-12(20)7-25-14(27-15)11-6-24-13-4-3-9(19)5-10(11)13;19-18(20,21)9-23-17(27)13-2-1-7-26(13)15-5-6-22-16(25-15)11-3-4-12-14(8-11)28-10-24-12;1-16(2,15(26)22-8-17(18,19)20)25-13-5-6-21-14(24-13)10-3-4-11-12(7-10)27-9-23-11;;;;/h3-4,8-9,13H,1-2,5-7,10H2,(H,25,28);3-7,24H,8H2,1-2H3,(H,26,29)(H,25,27,28);3-6,8,10,13H,1-2,7,9H2,(H,23,27);3-7,9H,8H2,1-2H3,(H,22,26)(H,21,24,25);4*1H/t13-;;13-;;;;;/m1.1...../s1.

What are the key properties of 2-[[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen?

2-[[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen has a molecular weight of 1667.07 g/mol, XLogP of 14.99, 18 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(1,3-benzothiazol-6-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 162229648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).