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

C18H23N7O2S2 — CID 146415222

IUPACN-[5-[[3-(5-methylsulfanylpyrimidin-2-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCSc1cnc(N2CC3(CCN(Cc4cnc(NC(C)=O)s4)CC3)NC2=O)nc1
InChIInChI=1S/C18H23N7O2S2/c1-12(26)22-16-21-9-14(29-16)10-24-5-3-18(4-6-24)11-25(17(27)23-18)15-19-7-13(28-2)8-20-15/h7-9H,3-6,10-11H2,1-2H3,(H,23,27)(H,21,22,26)
InChIKeyZCJPZMZZZQDDLB-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.18
Rot. Bonds5

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

N-[5-[[3-(5-methylsulfanylpyrimidin-2-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 146415222) has the molecular formula C18H23N7O2S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[5-[[3-(5-methylsulfanylpyrimidin-2-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-(5-methylsulfanylpyrimidin-2-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID146415222
Molecular FormulaC18H23N7O2S2
Molecular Weight433.56 g/mol
Exact Mass433.14
IUPAC NameN-[5-[[3-(5-methylsulfanylpyrimidin-2-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCSc1cnc(N2CC3(CCN(Cc4cnc(NC(C)=O)s4)CC3)NC2=O)nc1
InChIInChI=1S/C18H23N7O2S2/c1-12(26)22-16-21-9-14(29-16)10-24-5-3-18(4-6-24)11-25(17(27)23-18)15-19-7-13(28-2)8-20-15/h7-9H,3-6,10-11H2,1-2H3,(H,23,27)(H,21,22,26)
InChIKeyZCJPZMZZZQDDLB-UHFFFAOYSA-N
XLogP2.18
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[[3-(5-methylsulfanylpyrimidin-2-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-(5-methylsulfanylpyrimidin-2-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-(5-methylsulfanylpyrimidin-2-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 146415222) is N-[5-[[3-(5-methylsulfanylpyrimidin-2-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-(5-methylsulfanylpyrimidin-2-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-(5-methylsulfanylpyrimidin-2-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide is CSc1cnc(N2CC3(CCN(Cc4cnc(NC(C)=O)s4)CC3)NC2=O)nc1.
What is the InChIKey of N-[5-[[3-(5-methylsulfanylpyrimidin-2-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZCJPZMZZZQDDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2S2/c1-12(26)22-16-21-9-14(29-16)10-24-5-3-18(4-6-24)11-25(17(27)23-18)15-19-7-13(28-2)8-20-15/h7-9H,3-6,10-11H2,1-2H3,(H,23,27)(H,21,22,26).
What are the key properties of N-[5-[[3-(5-methylsulfanylpyrimidin-2-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-(5-methylsulfanylpyrimidin-2-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 433.56 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(5-methylsulfanylpyrimidin-2-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146415222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).