2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide

C16H22N4O3S — CID 86825829

IUPAC2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncc(CNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)s1
InChIInChI=1S/C16H22N4O3S/c1-11-17-8-12(24-11)9-18-13(21)10-20-14(22)16(19(2)15(20)23)6-4-3-5-7-16/h8H,3-7,9-10H2,1-2H3,(H,18,21)
InChIKeySCHUHEBWJZFKKC-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.66
Rot. Bonds4

About 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide

2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 86825829) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID86825829
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncc(CNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)s1
InChIInChI=1S/C16H22N4O3S/c1-11-17-8-12(24-11)9-18-13(21)10-20-14(22)16(19(2)15(20)23)6-4-3-5-7-16/h8H,3-7,9-10H2,1-2H3,(H,18,21)
InChIKeySCHUHEBWJZFKKC-UHFFFAOYSA-N
XLogP1.66
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide (CID 86825829) is 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide is Cc1ncc(CNC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)s1.
What is the InChIKey of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is SCHUHEBWJZFKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-11-17-8-12(24-11)9-18-13(21)10-20-14(22)16(19(2)15(20)23)6-4-3-5-7-16/h8H,3-7,9-10H2,1-2H3,(H,18,21).
What are the key properties of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 350.44 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 86825829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).