5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-(2,4,4-trimethyl-5-oxohexan-2-yl)pentanamide

C19H33N3O3S — CID 91471777

IUPAC5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-(2,4,4-trimethyl-5-oxohexan-2-yl)pentanamide
SMILESCC(=O)C(C)(C)CC(C)(C)NC(=O)CCCCC1SCC2NC(=O)NC21
InChIInChI=1S/C19H33N3O3S/c1-12(23)18(2,3)11-19(4,5)22-15(24)9-7-6-8-14-16-13(10-26-14)20-17(25)21-16/h13-14,16H,6-11H2,1-5H3,(H,22,24)(H2,20,21,25)
InChIKeyFVUJJLFLZHGPKZ-UHFFFAOYSA-N
MW383.56 g/mol
LogP2.61
Rot. Bonds9

About 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-(2,4,4-trimethyl-5-oxohexan-2-yl)pentanamide

5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-(2,4,4-trimethyl-5-oxohexan-2-yl)pentanamide (PubChem CID 91471777) has the molecular formula C19H33N3O3S and a molecular weight of 383.56 g/mol. Its IUPAC name is 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-(2,4,4-trimethyl-5-oxohexan-2-yl)pentanamide.

Molecular Properties

Compound Name5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-(2,4,4-trimethyl-5-oxohexan-2-yl)pentanamide
PubChem CID91471777
Molecular FormulaC19H33N3O3S
Molecular Weight383.56 g/mol
Exact Mass383.22
IUPAC Name5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-(2,4,4-trimethyl-5-oxohexan-2-yl)pentanamide
SMILESCC(=O)C(C)(C)CC(C)(C)NC(=O)CCCCC1SCC2NC(=O)NC21
InChIInChI=1S/C19H33N3O3S/c1-12(23)18(2,3)11-19(4,5)22-15(24)9-7-6-8-14-16-13(10-26-14)20-17(25)21-16/h13-14,16H,6-11H2,1-5H3,(H,22,24)(H2,20,21,25)
InChIKeyFVUJJLFLZHGPKZ-UHFFFAOYSA-N
XLogP2.61
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-(2,4,4-trimethyl-5-oxohexan-2-yl)pentanamide with MolForge

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Related Compounds

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-tert-butylpentanamide
CID 47337564
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(1-amino-2,3-dimethylbutan-2-yl)pentanamide
CID 119607603
(4R)-4-(5-oxohexyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one
CID 143433053
N'-methyl-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanehydrazide
CID 23555860
5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyloxidanium
CID 59079188
N-[2-methyl-4-(2-methylhex-5-yn-2-yloxy)butan-2-yl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
CID 123273959
N-[1-[[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-methylbutyl]amino]-2-methyl-1-oxopropan-2-yl]-2,2-dimethylbut-3-enamide
CID 154952814
tert-butyl N-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethyl]carbamate
CID 45038395
methyl 5-[(3aR,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
CID 97103871
N-(dimethoxymethyl)-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
CID 59742679
ethane;5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
CID 142143398
N-(1-hydroxy-3-oxobutan-2-yl)-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
CID 58747045

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-(2,4,4-trimethyl-5-oxohexan-2-yl)pentanamide?
The IUPAC name of 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-(2,4,4-trimethyl-5-oxohexan-2-yl)pentanamide (CID 91471777) is 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-(2,4,4-trimethyl-5-oxohexan-2-yl)pentanamide.
What is the SMILES notation for 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-(2,4,4-trimethyl-5-oxohexan-2-yl)pentanamide?
The canonical SMILES for 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-(2,4,4-trimethyl-5-oxohexan-2-yl)pentanamide is CC(=O)C(C)(C)CC(C)(C)NC(=O)CCCCC1SCC2NC(=O)NC21.
What is the InChIKey of 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-(2,4,4-trimethyl-5-oxohexan-2-yl)pentanamide?
The InChIKey is FVUJJLFLZHGPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3S/c1-12(23)18(2,3)11-19(4,5)22-15(24)9-7-6-8-14-16-13(10-26-14)20-17(25)21-16/h13-14,16H,6-11H2,1-5H3,(H,22,24)(H2,20,21,25).
What are the key properties of 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-(2,4,4-trimethyl-5-oxohexan-2-yl)pentanamide?
5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-(2,4,4-trimethyl-5-oxohexan-2-yl)pentanamide has a molecular weight of 383.56 g/mol, XLogP of 2.61, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-(2,4,4-trimethyl-5-oxohexan-2-yl)pentanamide is sourced from PubChem (CID 91471777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).