2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole

C17H23N5OS — CID 97483573

IUPAC2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
SMILESCOc1cc(N2CCC[C@@]3(CCN(Cc4nccs4)C3)C2)ncn1
InChIInChI=1S/C17H23N5OS/c1-23-15-9-14(19-13-20-15)22-6-2-3-17(12-22)4-7-21(11-17)10-16-18-5-8-24-16/h5,8-9,13H,2-4,6-7,10-12H2,1H3/t17-/m0/s1
InChIKeyWYJFKXHTNGPXOT-KRWDZBQOSA-N
MW345.47 g/mol
LogP2.43
Rot. Bonds4

About 2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole

2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole (PubChem CID 97483573) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
PubChem CID97483573
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
SMILESCOc1cc(N2CCC[C@@]3(CCN(Cc4nccs4)C3)C2)ncn1
InChIInChI=1S/C17H23N5OS/c1-23-15-9-14(19-13-20-15)22-6-2-3-17(12-22)4-7-21(11-17)10-16-18-5-8-24-16/h5,8-9,13H,2-4,6-7,10-12H2,1H3/t17-/m0/s1
InChIKeyWYJFKXHTNGPXOT-KRWDZBQOSA-N
XLogP2.43
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane
CID 97483578
2-[[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 131645302
(5R)-2-[(4,5-dimethylfuran-2-yl)methyl]-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 97483634
7-(5-fluoropyrimidin-2-yl)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 134080133
1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233453
2-[[(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 97370376
1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 97415473
3,5-dimethyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,2-oxazole
CID 134074834
(6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97144190
2-[[(5R)-2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 97482790
2-[[2-(1,3-benzodioxol-5-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 131657936
[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
CID 131662967

Frequently Asked Questions

What is the IUPAC name of 2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole (CID 97483573) is 2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole is COc1cc(N2CCC[C@@]3(CCN(Cc4nccs4)C3)C2)ncn1.
What is the InChIKey of 2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole?
The InChIKey is WYJFKXHTNGPXOT-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-23-15-9-14(19-13-20-15)22-6-2-3-17(12-22)4-7-21(11-17)10-16-18-5-8-24-16/h5,8-9,13H,2-4,6-7,10-12H2,1H3/t17-/m0/s1.
What are the key properties of 2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole?
2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole has a molecular weight of 345.47 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97483573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).