4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-(2-hydroxypropan-2-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbaldehyde

C27H31F3N8O2S2 — CID 144984245

About 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-(2-hydroxypropan-2-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbaldehyde

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-(2-hydroxypropan-2-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbaldehyde (PubChem CID 144984245) has the molecular formula C27H31F3N8O2S2 and a molecular weight of 620.73 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-(2-hydroxypropan-2-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbaldehyde.

Molecular Properties

• Compound Name: 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-(2-hydroxypropan-2-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
• PubChem CID: 144984245
• Molecular Formula: C27H31F3N8O2S2
• Molecular Weight: 620.73 g/mol
• Exact Mass: 620.20
• IUPAC Name: 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-(2-hydroxypropan-2-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
• SMILES: CC(C)(O)C1CN(c2ncc(C(F)(F)F)cn2)CCN1C=O.Cc1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1
• InChI: InChI=1S/C14H14N4S2.C13H17F3N4O2/c1-8-4-5-12(15-6-8)18-14-17-11(7-19-14)13-9(2)16-10(3)20-13;1-12(2,22)10-7-19(3-4-20(10)8-21)11-17-5-9(6-18-11)13(14,15)16/h4-7H,1-3H3,(H,15,17,18);5-6,8,10,22H,3-4,7H2,1-2H3
• InChIKey: OLQFUJDFNTZHOG-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 120.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	620.73
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-(2-hydroxypropan-2-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbaldehyde?

The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-(2-hydroxypropan-2-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbaldehyde (CID 144984245) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-(2-hydroxypropan-2-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbaldehyde.

What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-(2-hydroxypropan-2-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbaldehyde?

The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-(2-hydroxypropan-2-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbaldehyde is CC(C)(O)C1CN(c2ncc(C(F)(F)F)cn2)CCN1C=O.Cc1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1.

What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-(2-hydroxypropan-2-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbaldehyde?

The InChIKey is OLQFUJDFNTZHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S2.C13H17F3N4O2/c1-8-4-5-12(15-6-8)18-14-17-11(7-19-14)13-9(2)16-10(3)20-13;1-12(2,22)10-7-19(3-4-20(10)8-21)11-17-5-9(6-18-11)13(14,15)16/h4-7H,1-3H3,(H,15,17,18);5-6,8,10,22H,3-4,7H2,1-2H3.

What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-(2-hydroxypropan-2-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbaldehyde?

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-(2-hydroxypropan-2-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbaldehyde has a molecular weight of 620.73 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-(2-hydroxypropan-2-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 144984245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).