(Z)-2-[3,6-dimethyl-4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine

C19H21F3N8S — CID 139358370

About (Z)-2-[3,6-dimethyl-4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine

(Z)-2-[3,6-dimethyl-4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine (PubChem CID 139358370) has the molecular formula C19H21F3N8S and a molecular weight of 450.49 g/mol. Its IUPAC name is (Z)-2-[3,6-dimethyl-4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine.

Molecular Properties

• Compound Name: (Z)-2-[3,6-dimethyl-4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine
• PubChem CID: 139358370
• Molecular Formula: C19H21F3N8S
• Molecular Weight: 450.49 g/mol
• Exact Mass: 450.16
• IUPAC Name: (Z)-2-[3,6-dimethyl-4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine
• SMILES: [H]/N=C/C(=C\N)C1NC(C)CN(c2ccnc(-c3cnc4sc(C(F)(F)F)cn34)n2)C1C
• InChI: InChI=1S/C19H21F3N8S/c1-10-8-29(11(2)16(27-10)12(5-23)6-24)15-3-4-25-17(28-15)13-7-26-18-30(13)9-14(31-18)19(20,21)22/h3-7,9-11,16,23,27H,8,24H2,1-2H3/b12-6+,23-5+
• InChIKey: XCIGMHDKHXTEGE-WYHHCSSLSA-N
• XLogP: 2.92
• TPSA: 108.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.49
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[3,6-dimethyl-4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine?

The IUPAC name of (Z)-2-[3,6-dimethyl-4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine (CID 139358370) is (Z)-2-[3,6-dimethyl-4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine.

What is the SMILES notation for (Z)-2-[3,6-dimethyl-4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine?

The canonical SMILES for (Z)-2-[3,6-dimethyl-4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine is [H]/N=C/C(=C\N)C1NC(C)CN(c2ccnc(-c3cnc4sc(C(F)(F)F)cn34)n2)C1C.

What is the InChIKey of (Z)-2-[3,6-dimethyl-4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine?

The InChIKey is XCIGMHDKHXTEGE-WYHHCSSLSA-N. The full InChI is InChI=1S/C19H21F3N8S/c1-10-8-29(11(2)16(27-10)12(5-23)6-24)15-3-4-25-17(28-15)13-7-26-18-30(13)9-14(31-18)19(20,21)22/h3-7,9-11,16,23,27H,8,24H2,1-2H3/b12-6+,23-5+.

What are the key properties of (Z)-2-[3,6-dimethyl-4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine?

(Z)-2-[3,6-dimethyl-4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine has a molecular weight of 450.49 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-[3,6-dimethyl-4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 139358370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).