N-[5-[[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide

C19H25N7O2S — CID 146415025

IUPACN-[5-[[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC3(CC2)CN(c2cc(C)nc(C)n2)C(=O)N3)s1
InChIInChI=1S/C19H25N7O2S/c1-12-8-16(22-13(2)21-12)26-11-19(24-18(26)28)4-6-25(7-5-19)10-15-9-20-17(29-15)23-14(3)27/h8-9H,4-7,10-11H2,1-3H3,(H,24,28)(H,20,23,27)
InChIKeyDXMBWLSOXWYFLH-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.07
Rot. Bonds4

About N-[5-[[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 146415025) has the molecular formula C19H25N7O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[5-[[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID146415025
Molecular FormulaC19H25N7O2S
Molecular Weight415.52 g/mol
Exact Mass415.18
IUPAC NameN-[5-[[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC3(CC2)CN(c2cc(C)nc(C)n2)C(=O)N3)s1
InChIInChI=1S/C19H25N7O2S/c1-12-8-16(22-13(2)21-12)26-11-19(24-18(26)28)4-6-25(7-5-19)10-15-9-20-17(29-15)23-14(3)27/h8-9H,4-7,10-11H2,1-3H3,(H,24,28)(H,20,23,27)
InChIKeyDXMBWLSOXWYFLH-UHFFFAOYSA-N
XLogP2.07
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 146415025) is N-[5-[[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC3(CC2)CN(c2cc(C)nc(C)n2)C(=O)N3)s1.
What is the InChIKey of N-[5-[[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is DXMBWLSOXWYFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2S/c1-12-8-16(22-13(2)21-12)26-11-19(24-18(26)28)4-6-25(7-5-19)10-15-9-20-17(29-15)23-14(3)27/h8-9H,4-7,10-11H2,1-3H3,(H,24,28)(H,20,23,27).
What are the key properties of N-[5-[[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 415.52 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146415025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).