N-[5-[[2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide

C20H24F3N5OS — CID 135301658

IUPACN-[5-[[2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC3(CCN(c4cc(C)nc(C(F)(F)F)c4)C3)C2)s1
InChIInChI=1S/C20H24F3N5OS/c1-13-7-15(8-17(25-13)20(21,22)23)28-6-4-19(12-28)3-5-27(11-19)10-16-9-24-18(30-16)26-14(2)29/h7-9H,3-6,10-12H2,1-2H3,(H,24,26,29)
InChIKeyMNXUWVNOCREBOO-UHFFFAOYSA-N
MW439.51 g/mol
LogP3.93
Rot. Bonds4

About N-[5-[[2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 135301658) has the molecular formula C20H24F3N5OS and a molecular weight of 439.51 g/mol. Its IUPAC name is N-[5-[[2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID135301658
Molecular FormulaC20H24F3N5OS
Molecular Weight439.51 g/mol
Exact Mass439.17
IUPAC NameN-[5-[[2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC3(CCN(c4cc(C)nc(C(F)(F)F)c4)C3)C2)s1
InChIInChI=1S/C20H24F3N5OS/c1-13-7-15(8-17(25-13)20(21,22)23)28-6-4-19(12-28)3-5-27(11-19)10-16-9-24-18(30-16)26-14(2)29/h7-9H,3-6,10-12H2,1-2H3,(H,24,26,29)
InChIKeyMNXUWVNOCREBOO-UHFFFAOYSA-N
XLogP3.93
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 135301658) is N-[5-[[2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC3(CCN(c4cc(C)nc(C(F)(F)F)c4)C3)C2)s1.
What is the InChIKey of N-[5-[[2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is MNXUWVNOCREBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5OS/c1-13-7-15(8-17(25-13)20(21,22)23)28-6-4-19(12-28)3-5-27(11-19)10-16-9-24-18(30-16)26-14(2)29/h7-9H,3-6,10-12H2,1-2H3,(H,24,26,29).
What are the key properties of N-[5-[[2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 439.51 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 135301658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).