[4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone

C27H32F2N6O4S2 — CID 10438653

About [4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone

[4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone (PubChem CID 10438653) has the molecular formula C27H32F2N6O4S2 and a molecular weight of 606.72 g/mol. Its IUPAC name is [4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

• Compound Name: [4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
• PubChem CID: 10438653
• Molecular Formula: C27H32F2N6O4S2
• Molecular Weight: 606.72 g/mol
• Exact Mass: 606.19
• IUPAC Name: [4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
• SMILES: CN1CCCC(COc2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cn2)C1
• InChI: InChI=1S/C27H32F2N6O4S2/c1-34-11-3-4-17(15-34)16-39-22-8-7-19(14-31-22)41(37,38)35-12-9-18(10-13-35)32-27-33-26(30)25(40-27)24(36)23-20(28)5-2-6-21(23)29/h2,5-8,14,17-18H,3-4,9-13,15-16,30H2,1H3,(H,32,33)
• InChIKey: DIELICBCLOUHCJ-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 130.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.72
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone?

The IUPAC name of [4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone (CID 10438653) is [4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone.

What is the SMILES notation for [4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone?

The canonical SMILES for [4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone is CN1CCCC(COc2ccc(S(=O)(=O)N3CCC(Nc4nc(N)c(C(=O)c5c(F)cccc5F)s4)CC3)cn2)C1.

What is the InChIKey of [4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone?

The InChIKey is DIELICBCLOUHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N6O4S2/c1-34-11-3-4-17(15-34)16-39-22-8-7-19(14-31-22)41(37,38)35-12-9-18(10-13-35)32-27-33-26(30)25(40-27)24(36)23-20(28)5-2-6-21(23)29/h2,5-8,14,17-18H,3-4,9-13,15-16,30H2,1H3,(H,32,33).

What are the key properties of [4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone?

[4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 606.72 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-amino-2-[[1-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 10438653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).