3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C14H18N4O3S — CID 17472405

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)s1
InChIInChI=1S/C14H18N4O3S/c1-9-8-15-12(22-9)16-10(19)4-7-18-11(20)14(17-13(18)21)5-2-3-6-14/h8H,2-7H2,1H3,(H,17,21)(H,15,16,19)
InChIKeyUUBJMDBCXQVHOY-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.64
Rot. Bonds4

About 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 17472405) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID17472405
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)s1
InChIInChI=1S/C14H18N4O3S/c1-9-8-15-12(22-9)16-10(19)4-7-18-11(20)14(17-13(18)21)5-2-3-6-14/h8H,2-7H2,1H3,(H,17,21)(H,15,16,19)
InChIKeyUUBJMDBCXQVHOY-UHFFFAOYSA-N
XLogP1.64
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16195944
[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
CID 44456032
(2S)-1-[(2R)-2-(cyclopentylmethyl)-4-(hydroxyamino)-4-oxobutanoyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 156016566
(6S)-5-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-1,3-thiazol-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide
CID 127053143
(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 59908745
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-4-methylidene-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 50902156
(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-methylidene-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 50902243
(2S,4S)-4-fluoro-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 118712589
(2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 118712592
(2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 118712594
N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 40151424
N-(5-methyl-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 52897212

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 17472405) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)s1.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is UUBJMDBCXQVHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-9-8-15-12(22-9)16-10(19)4-7-18-11(20)14(17-13(18)21)5-2-3-6-14/h8H,2-7H2,1H3,(H,17,21)(H,15,16,19).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 322.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 17472405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).