N-[4-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide;ethane

C24H25F2N5O2S — CID 144524844

About N-[4-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide;ethane

N-[4-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide;ethane (PubChem CID 144524844) has the molecular formula C24H25F2N5O2S and a molecular weight of 485.56 g/mol. Its IUPAC name is N-[4-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide;ethane.

Molecular Properties

• Compound Name: N-[4-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide;ethane
• PubChem CID: 144524844
• Molecular Formula: C24H25F2N5O2S
• Molecular Weight: 485.56 g/mol
• Exact Mass: 485.17
• IUPAC Name: N-[4-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide;ethane
• SMILES: CC.O=C(Nc1cnccc1C(=O)N1CC2CCC(C1)N2)c1csc(-c2c(F)cccc2F)n1
• InChI: InChI=1S/C22H19F2N5O2S.C2H6/c23-15-2-1-3-16(24)19(15)21-28-18(11-32-21)20(30)27-17-8-25-7-6-14(17)22(31)29-9-12-4-5-13(10-29)26-12;1-2/h1-3,6-8,11-13,26H,4-5,9-10H2,(H,27,30);1-2H3
• InChIKey: GTGABNIQBKVYQA-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 87.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.56
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide;ethane?

The IUPAC name of N-[4-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide;ethane (CID 144524844) is N-[4-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide;ethane.

What is the SMILES notation for N-[4-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide;ethane?

The canonical SMILES for N-[4-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide;ethane is CC.O=C(Nc1cnccc1C(=O)N1CC2CCC(C1)N2)c1csc(-c2c(F)cccc2F)n1.

What is the InChIKey of N-[4-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide;ethane?

The InChIKey is GTGABNIQBKVYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O2S.C2H6/c23-15-2-1-3-16(24)19(15)21-28-18(11-32-21)20(30)27-17-8-25-7-6-14(17)22(31)29-9-12-4-5-13(10-29)26-12;1-2/h1-3,6-8,11-13,26H,4-5,9-10H2,(H,27,30);1-2H3.

What are the key properties of N-[4-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide;ethane?

N-[4-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide;ethane has a molecular weight of 485.56 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide;ethane is sourced from PubChem (CID 144524844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).