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

C27H30F3N9O2S2 — CID 144984093

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

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-formyl-N,N-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-carboxamide (PubChem CID 144984093) has the molecular formula C27H30F3N9O2S2 and a molecular weight of 633.73 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;4-formyl-N,N-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-formyl-N,N-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-carboxamide
• PubChem CID: 144984093
• Molecular Formula: C27H30F3N9O2S2
• Molecular Weight: 633.73 g/mol
• Exact Mass: 633.19
• IUPAC Name: 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-formyl-N,N-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-carboxamide
• SMILES: CN(C)C(=O)C1CN(C=O)CCN1c1ncc(C(F)(F)F)cn1.Cc1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1
• InChI: InChI=1S/C14H14N4S2.C13H16F3N5O2/c1-8-4-5-12(15-6-8)18-14-17-11(7-19-14)13-9(2)16-10(3)20-13;1-19(2)11(23)10-7-20(8-22)3-4-21(10)12-17-5-9(6-18-12)13(14,15)16/h4-7H,1-3H3,(H,15,17,18);5-6,8,10H,3-4,7H2,1-2H3
• InChIKey: ZIGFCWUEZOECCI-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 120.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.73
LogP ≤ 5	4.56
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;4-formyl-N,N-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-carboxamide?

The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-formyl-N,N-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-carboxamide (CID 144984093) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-formyl-N,N-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-carboxamide.

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;4-formyl-N,N-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-carboxamide?

The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-formyl-N,N-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-carboxamide is CN(C)C(=O)C1CN(C=O)CCN1c1ncc(C(F)(F)F)cn1.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;4-formyl-N,N-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-carboxamide?

The InChIKey is ZIGFCWUEZOECCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S2.C13H16F3N5O2/c1-8-4-5-12(15-6-8)18-14-17-11(7-19-14)13-9(2)16-10(3)20-13;1-19(2)11(23)10-7-20(8-22)3-4-21(10)12-17-5-9(6-18-12)13(14,15)16/h4-7H,1-3H3,(H,15,17,18);5-6,8,10H,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;4-formyl-N,N-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-carboxamide?

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-formyl-N,N-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-carboxamide has a molecular weight of 633.73 g/mol, XLogP of 4.56, 6 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;4-formyl-N,N-dimethyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-carboxamide is sourced from PubChem (CID 144984093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).