N-[5-[(1R)-1-[3-(6-methyl-3-pyridinyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide

C20H24N6O3S — CID 146415345

IUPACN-[5-[(1R)-1-[3-(6-methyl-3-pyridinyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc([C@@H](C)N2CCC3(CC2)NC(=O)N(c2ccc(C)nc2)C3=O)s1
InChIInChI=1S/C20H24N6O3S/c1-12-4-5-15(10-21-12)26-17(28)20(24-19(26)29)6-8-25(9-7-20)13(2)16-11-22-18(30-16)23-14(3)27/h4-5,10-11,13H,6-9H2,1-3H3,(H,24,29)(H,22,23,27)/t13-/m1/s1
InChIKeyZIGIPELKGAYQOG-CYBMUJFWSA-N
MW428.52 g/mol
LogP2.46
Rot. Bonds4

About N-[5-[(1R)-1-[3-(6-methyl-3-pyridinyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide

N-[5-[(1R)-1-[3-(6-methyl-3-pyridinyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 146415345) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is N-[5-[(1R)-1-[3-(6-methyl-3-pyridinyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(1R)-1-[3-(6-methyl-3-pyridinyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID146415345
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC NameN-[5-[(1R)-1-[3-(6-methyl-3-pyridinyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc([C@@H](C)N2CCC3(CC2)NC(=O)N(c2ccc(C)nc2)C3=O)s1
InChIInChI=1S/C20H24N6O3S/c1-12-4-5-15(10-21-12)26-17(28)20(24-19(26)29)6-8-25(9-7-20)13(2)16-11-22-18(30-16)23-14(3)27/h4-5,10-11,13H,6-9H2,1-3H3,(H,24,29)(H,22,23,27)/t13-/m1/s1
InChIKeyZIGIPELKGAYQOG-CYBMUJFWSA-N
XLogP2.46
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R)-1-[3-(6-methyl-3-pyridinyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(1R)-1-[3-(6-methyl-3-pyridinyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide (CID 146415345) is N-[5-[(1R)-1-[3-(6-methyl-3-pyridinyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(1R)-1-[3-(6-methyl-3-pyridinyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(1R)-1-[3-(6-methyl-3-pyridinyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc([C@@H](C)N2CCC3(CC2)NC(=O)N(c2ccc(C)nc2)C3=O)s1.
What is the InChIKey of N-[5-[(1R)-1-[3-(6-methyl-3-pyridinyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZIGIPELKGAYQOG-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N6O3S/c1-12-4-5-15(10-21-12)26-17(28)20(24-19(26)29)6-8-25(9-7-20)13(2)16-11-22-18(30-16)23-14(3)27/h4-5,10-11,13H,6-9H2,1-3H3,(H,24,29)(H,22,23,27)/t13-/m1/s1.
What are the key properties of N-[5-[(1R)-1-[3-(6-methyl-3-pyridinyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(1R)-1-[3-(6-methyl-3-pyridinyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 428.52 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1R)-1-[3-(6-methyl-3-pyridinyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146415345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).