[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-2-ethyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

C25H25F3N8OS2 — CID 144984167

About [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-2-ethyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-2-ethyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 144984167) has the molecular formula C25H25F3N8OS2 and a molecular weight of 574.66 g/mol. Its IUPAC name is [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-2-ethyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-2-ethyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
• PubChem CID: 144984167
• Molecular Formula: C25H25F3N8OS2
• Molecular Weight: 574.66 g/mol
• Exact Mass: 574.15
• IUPAC Name: [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-2-ethyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
• SMILES: CC[C@@H]1CN(c2ncc(C(F)(F)F)cn2)CCN1C(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1
• InChI: InChI=1S/C25H25F3N8OS2/c1-4-18-12-35(23-30-10-17(11-31-23)25(26,27)28)7-8-36(18)22(37)16-5-6-20(29-9-16)34-24-33-19(13-38-24)21-14(2)32-15(3)39-21/h5-6,9-11,13,18H,4,7-8,12H2,1-3H3,(H,29,33,34)/t18-/m1/s1
• InChIKey: YFUGSLIIVCBVEE-GOSISDBHSA-N
• XLogP: 5.57
• TPSA: 100.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.66
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-2-ethyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?

The IUPAC name of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-2-ethyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (CID 144984167) is [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-2-ethyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.

What is the SMILES notation for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-2-ethyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?

The canonical SMILES for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-2-ethyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is CC[C@@H]1CN(c2ncc(C(F)(F)F)cn2)CCN1C(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1.

What is the InChIKey of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-2-ethyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?

The InChIKey is YFUGSLIIVCBVEE-GOSISDBHSA-N. The full InChI is InChI=1S/C25H25F3N8OS2/c1-4-18-12-35(23-30-10-17(11-31-23)25(26,27)28)7-8-36(18)22(37)16-5-6-20(29-9-16)34-24-33-19(13-38-24)21-14(2)32-15(3)39-21/h5-6,9-11,13,18H,4,7-8,12H2,1-3H3,(H,29,33,34)/t18-/m1/s1.

What are the key properties of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-2-ethyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?

[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-2-ethyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 574.66 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-2-ethyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 144984167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).