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

C25H30F2N6O4S2 — CID 10438211

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

[4-amino-2-[[1-[[6-[1-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone (PubChem CID 10438211) has the molecular formula C25H30F2N6O4S2 and a molecular weight of 580.68 g/mol. Its IUPAC name is [4-amino-2-[[1-[[6-[1-(dimethylamino)propan-2-yloxy]-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-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
• PubChem CID: 10438211
• Molecular Formula: C25H30F2N6O4S2
• Molecular Weight: 580.68 g/mol
• Exact Mass: 580.17
• IUPAC Name: [4-amino-2-[[1-[[6-[1-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone
• SMILES: CC(CN(C)C)Oc1ccc(S(=O)(=O)N2CCC(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)CC2)cn1
• InChI: InChI=1S/C25H30F2N6O4S2/c1-15(14-32(2)3)37-20-8-7-17(13-29-20)39(35,36)33-11-9-16(10-12-33)30-25-31-24(28)23(38-25)22(34)21-18(26)5-4-6-19(21)27/h4-8,13,15-16H,9-12,14,28H2,1-3H3,(H,30,31)
• InChIKey: OTBGCXUWYYQGHQ-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 130.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.68
LogP ≤ 5	3.22
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-(dimethylamino)propan-2-yloxy]-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-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone (CID 10438211) is [4-amino-2-[[1-[[6-[1-(dimethylamino)propan-2-yloxy]-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-(dimethylamino)propan-2-yloxy]-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-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone is CC(CN(C)C)Oc1ccc(S(=O)(=O)N2CCC(Nc3nc(N)c(C(=O)c4c(F)cccc4F)s3)CC2)cn1.

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

The InChIKey is OTBGCXUWYYQGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N6O4S2/c1-15(14-32(2)3)37-20-8-7-17(13-29-20)39(35,36)33-11-9-16(10-12-33)30-25-31-24(28)23(38-25)22(34)21-18(26)5-4-6-19(21)27/h4-8,13,15-16H,9-12,14,28H2,1-3H3,(H,30,31).

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

[4-amino-2-[[1-[[6-[1-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 580.68 g/mol, XLogP of 3.22, 10 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-(dimethylamino)propan-2-yloxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]amino]-1,3-thiazol-5-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 10438211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).