N-(1,3-thiazol-2-yl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide

C17H23N3O3S — CID 19241784

IUPACN-(1,3-thiazol-2-yl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide
SMILESCC12CCC(C(=O)N(CCCC(=O)Nc3nccs3)C1=O)C2(C)C
InChIInChI=1S/C17H23N3O3S/c1-16(2)11-6-7-17(16,3)14(23)20(13(11)22)9-4-5-12(21)19-15-18-8-10-24-15/h8,10-11H,4-7,9H2,1-3H3,(H,18,19,21)
InChIKeyNPVLANQRSCDPRW-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.67
Rot. Bonds5

About N-(1,3-thiazol-2-yl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide

N-(1,3-thiazol-2-yl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide (PubChem CID 19241784) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide
PubChem CID19241784
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-(1,3-thiazol-2-yl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide
SMILESCC12CCC(C(=O)N(CCCC(=O)Nc3nccs3)C1=O)C2(C)C
InChIInChI=1S/C17H23N3O3S/c1-16(2)11-6-7-17(16,3)14(23)20(13(11)22)9-4-5-12(21)19-15-18-8-10-24-15/h8,10-11H,4-7,9H2,1-3H3,(H,18,19,21)
InChIKeyNPVLANQRSCDPRW-UHFFFAOYSA-N
XLogP2.67
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 19241711
N-(6-nitro-1,3-benzothiazol-2-yl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 19241810
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 8777159
N-(2-nitrophenyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 19241824
2-[4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 19241787
3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 19241944
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 719768
N-[2,5-diethoxy-4-[4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanoylamino]phenyl]benzamide
CID 19241893
(1R,5S)-3-hexyl-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
CID 146680975
3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
CID 4157958
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19242124
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide (CID 19241784) is N-(1,3-thiazol-2-yl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide is CC12CCC(C(=O)N(CCCC(=O)Nc3nccs3)C1=O)C2(C)C.
What is the InChIKey of N-(1,3-thiazol-2-yl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide?
The InChIKey is NPVLANQRSCDPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-16(2)11-6-7-17(16,3)14(23)20(13(11)22)9-4-5-12(21)19-15-18-8-10-24-15/h8,10-11H,4-7,9H2,1-3H3,(H,18,19,21).
What are the key properties of N-(1,3-thiazol-2-yl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide?
N-(1,3-thiazol-2-yl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide has a molecular weight of 349.46 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide is sourced from PubChem (CID 19241784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).