(Z)-but-2-ene;2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol

C24H36F3N5OS — CID 143945355

About (Z)-but-2-ene;2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol

(Z)-but-2-ene;2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol (PubChem CID 143945355) has the molecular formula C24H36F3N5OS and a molecular weight of 499.65 g/mol. Its IUPAC name is (Z)-but-2-ene;2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol.

Molecular Properties

• Compound Name: (Z)-but-2-ene;2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol
• PubChem CID: 143945355
• Molecular Formula: C24H36F3N5OS
• Molecular Weight: 499.65 g/mol
• Exact Mass: 499.26
• IUPAC Name: (Z)-but-2-ene;2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol
• SMILES: C/C=C\C.Cc1nc(-c2c(C)nc(NCC(F)(F)F)nc2NC2CCC(C(C)(C)O)C2)sc1C
• InChI: InChI=1S/C20H28F3N5OS.C4H8/c1-10-12(3)30-17(25-10)15-11(2)26-18(24-9-20(21,22)23)28-16(15)27-14-7-6-13(8-14)19(4,5)29;1-3-4-2/h13-14,29H,6-9H2,1-5H3,(H2,24,26,27,28);3-4H,1-2H3/b;4-3-
• InChIKey: MXTITKYAQYZWKG-QGAMPUOQSA-N
• XLogP: 6.43
• TPSA: 82.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.65
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol?

The IUPAC name of (Z)-but-2-ene;2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol (CID 143945355) is (Z)-but-2-ene;2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol.

What is the SMILES notation for (Z)-but-2-ene;2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol?

The canonical SMILES for (Z)-but-2-ene;2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol is C/C=C\C.Cc1nc(-c2c(C)nc(NCC(F)(F)F)nc2NC2CCC(C(C)(C)O)C2)sc1C.

What is the InChIKey of (Z)-but-2-ene;2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol?

The InChIKey is MXTITKYAQYZWKG-QGAMPUOQSA-N. The full InChI is InChI=1S/C20H28F3N5OS.C4H8/c1-10-12(3)30-17(25-10)15-11(2)26-18(24-9-20(21,22)23)28-16(15)27-14-7-6-13(8-14)19(4,5)29;1-3-4-2/h13-14,29H,6-9H2,1-5H3,(H2,24,26,27,28);3-4H,1-2H3/b;4-3-.

What are the key properties of (Z)-but-2-ene;2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol?

(Z)-but-2-ene;2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol has a molecular weight of 499.65 g/mol, XLogP of 6.43, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-but-2-ene;2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol is sourced from PubChem (CID 143945355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).