4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-[1-formyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-yl]-N,N-dimethylacetamide

C28H32F3N9O2S2 — CID 144984129

About 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-[1-formyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-yl]-N,N-dimethylacetamide

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-[1-formyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-yl]-N,N-dimethylacetamide (PubChem CID 144984129) has the molecular formula C28H32F3N9O2S2 and a molecular weight of 647.75 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-[1-formyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-yl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-[1-formyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-yl]-N,N-dimethylacetamide
• PubChem CID: 144984129
• Molecular Formula: C28H32F3N9O2S2
• Molecular Weight: 647.75 g/mol
• Exact Mass: 647.21
• IUPAC Name: 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-[1-formyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-yl]-N,N-dimethylacetamide
• SMILES: CN(C)C(=O)CC1CN(c2ncc(C(F)(F)F)cn2)CCN1C=O.Cc1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1
• InChI: InChI=1S/C14H18F3N5O2.C14H14N4S2/c1-20(2)12(24)5-11-8-21(3-4-22(11)9-23)13-18-6-10(7-19-13)14(15,16)17;1-8-4-5-12(15-6-8)18-14-17-11(7-19-14)13-9(2)16-10(3)20-13/h6-7,9,11H,3-5,8H2,1-2H3;4-7H,1-3H3,(H,15,17,18)
• InChIKey: FROVAONLSVOJFJ-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 120.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.75
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
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-[1-formyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-yl]-N,N-dimethylacetamide?

The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-[1-formyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-yl]-N,N-dimethylacetamide (CID 144984129) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-[1-formyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-yl]-N,N-dimethylacetamide.

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-[1-formyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-yl]-N,N-dimethylacetamide?

The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-[1-formyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-yl]-N,N-dimethylacetamide is CN(C)C(=O)CC1CN(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-[1-formyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-yl]-N,N-dimethylacetamide?

The InChIKey is FROVAONLSVOJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O2.C14H14N4S2/c1-20(2)12(24)5-11-8-21(3-4-22(11)9-23)13-18-6-10(7-19-13)14(15,16)17;1-8-4-5-12(15-6-8)18-14-17-11(7-19-14)13-9(2)16-10(3)20-13/h6-7,9,11H,3-5,8H2,1-2H3;4-7H,1-3H3,(H,15,17,18).

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-[1-formyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-yl]-N,N-dimethylacetamide?

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;2-[1-formyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-yl]-N,N-dimethylacetamide has a molecular weight of 647.75 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 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-[1-formyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 144984129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).