[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone

C25H22F4N6OS2 — CID 144983972

About [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone

[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone (PubChem CID 144983972) has the molecular formula C25H22F4N6OS2 and a molecular weight of 562.62 g/mol. Its IUPAC name is [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-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]-[4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone
• PubChem CID: 144983972
• Molecular Formula: C25H22F4N6OS2
• Molecular Weight: 562.62 g/mol
• Exact Mass: 562.12
• IUPAC Name: [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone
• SMILES: Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCC(F)(c5ccc(C(F)(F)F)nc5)CC4)cn3)n2)s1
• InChI: InChI=1S/C25H22F4N6OS2/c1-14-21(38-15(2)32-14)18-13-37-23(33-18)34-20-6-3-16(11-31-20)22(36)35-9-7-24(26,8-10-35)17-4-5-19(30-12-17)25(27,28)29/h3-6,11-13H,7-10H2,1-2H3,(H,31,33,34)
• InChIKey: MNKUKGHBWWHXNL-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 83.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.62
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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]-[4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-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]-[4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone (CID 144983972) is [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-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]-[4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-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]-[4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone is Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCC(F)(c5ccc(C(F)(F)F)nc5)CC4)cn3)n2)s1.

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

The InChIKey is MNKUKGHBWWHXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N6OS2/c1-14-21(38-15(2)32-14)18-13-37-23(33-18)34-20-6-3-16(11-31-20)22(36)35-9-7-24(26,8-10-35)17-4-5-19(30-12-17)25(27,28)29/h3-6,11-13H,7-10H2,1-2H3,(H,31,33,34).

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

[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 562.62 g/mol, XLogP of 6.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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]-[4-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 144983972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).