2-tert-butyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide

C19H28N4O3S — CID 48983134

IUPAC2-tert-butyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C19H28N4O3S/c1-12-13(27-15(21-12)18(2,3)4)14(24)20-10-7-11-23-16(25)19(22-17(23)26)8-5-6-9-19/h5-11H2,1-4H3,(H,20,24)(H,22,26)
InChIKeyRBDQGGRBRHYJTH-UHFFFAOYSA-N
MW392.53 g/mol
LogP2.73
Rot. Bonds5

About 2-tert-butyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 48983134) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is 2-tert-butyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID48983134
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name2-tert-butyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C19H28N4O3S/c1-12-13(27-15(21-12)18(2,3)4)14(24)20-10-7-11-23-16(25)19(22-17(23)26)8-5-6-9-19/h5-11H2,1-4H3,(H,20,24)(H,22,26)
InChIKeyRBDQGGRBRHYJTH-UHFFFAOYSA-N
XLogP2.73
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 48983134) is 2-tert-butyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)(C)C)sc1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 2-tert-butyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RBDQGGRBRHYJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-12-13(27-15(21-12)18(2,3)4)14(24)20-10-7-11-23-16(25)19(22-17(23)26)8-5-6-9-19/h5-11H2,1-4H3,(H,20,24)(H,22,26).
What are the key properties of 2-tert-butyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48983134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).