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

C20H26N6OS — CID 135301762

IUPACN-[5-[[2-(6-cyclopropylpyrazin-2-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC3(CCN(c4cncc(C5CC5)n4)C3)C2)s1
InChIInChI=1S/C20H26N6OS/c1-14(27)23-19-22-8-16(28-19)11-25-6-4-20(12-25)5-7-26(13-20)18-10-21-9-17(24-18)15-2-3-15/h8-10,15H,2-7,11-13H2,1H3,(H,22,23,27)
InChIKeyNXYVWDZCNBNGNE-UHFFFAOYSA-N
MW398.54 g/mol
LogP2.87
Rot. Bonds5

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

N-[5-[[2-(6-cyclopropylpyrazin-2-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 135301762) has the molecular formula C20H26N6OS and a molecular weight of 398.54 g/mol. Its IUPAC name is N-[5-[[2-(6-cyclopropylpyrazin-2-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[2-(6-cyclopropylpyrazin-2-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID135301762
Molecular FormulaC20H26N6OS
Molecular Weight398.54 g/mol
Exact Mass398.19
IUPAC NameN-[5-[[2-(6-cyclopropylpyrazin-2-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC3(CCN(c4cncc(C5CC5)n4)C3)C2)s1
InChIInChI=1S/C20H26N6OS/c1-14(27)23-19-22-8-16(28-19)11-25-6-4-20(12-25)5-7-26(13-20)18-10-21-9-17(24-18)15-2-3-15/h8-10,15H,2-7,11-13H2,1H3,(H,22,23,27)
InChIKeyNXYVWDZCNBNGNE-UHFFFAOYSA-N
XLogP2.87
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.54
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(6-cyclopropylpyrazin-2-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[2-(6-cyclopropylpyrazin-2-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 135301762) is N-[5-[[2-(6-cyclopropylpyrazin-2-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[2-(6-cyclopropylpyrazin-2-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[2-(6-cyclopropylpyrazin-2-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC3(CCN(c4cncc(C5CC5)n4)C3)C2)s1.
What is the InChIKey of N-[5-[[2-(6-cyclopropylpyrazin-2-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NXYVWDZCNBNGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6OS/c1-14(27)23-19-22-8-16(28-19)11-25-6-4-20(12-25)5-7-26(13-20)18-10-21-9-17(24-18)15-2-3-15/h8-10,15H,2-7,11-13H2,1H3,(H,22,23,27).
What are the key properties of N-[5-[[2-(6-cyclopropylpyrazin-2-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[2-(6-cyclopropylpyrazin-2-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 398.54 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(6-cyclopropylpyrazin-2-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 135301762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).