2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetamide

C17H17FN6O3S — CID 51598785

IUPAC2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCN1C(=O)N(C)[C@@H]2[C@H]1NC(=O)N2CC(=O)Nc1nc(-c2ccccc2F)cs1
InChIInChI=1S/C17H17FN6O3S/c1-22-13-14(23(2)17(22)27)24(16(26)21-13)7-12(25)20-15-19-11(8-28-15)9-5-3-4-6-10(9)18/h3-6,8,13-14H,7H2,1-2H3,(H,21,26)(H,19,20,25)/t13-,14-/m0/s1
InChIKeyVAPPFOVZFWAFRH-KBPBESRZSA-N
MW404.43 g/mol
LogP1.56
Rot. Bonds4

About 2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetamide

2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 51598785) has the molecular formula C17H17FN6O3S and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID51598785
Molecular FormulaC17H17FN6O3S
Molecular Weight404.43 g/mol
Exact Mass404.11
IUPAC Name2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCN1C(=O)N(C)[C@@H]2[C@H]1NC(=O)N2CC(=O)Nc1nc(-c2ccccc2F)cs1
InChIInChI=1S/C17H17FN6O3S/c1-22-13-14(23(2)17(22)27)24(16(26)21-13)7-12(25)20-15-19-11(8-28-15)9-5-3-4-6-10(9)18/h3-6,8,13-14H,7H2,1-2H3,(H,21,26)(H,19,20,25)/t13-,14-/m0/s1
InChIKeyVAPPFOVZFWAFRH-KBPBESRZSA-N
XLogP1.56
TPSA97.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

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2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]-N-[(6R)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
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CID 39804824
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Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 51598785) is 2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetamide is CN1C(=O)N(C)[C@@H]2[C@H]1NC(=O)N2CC(=O)Nc1nc(-c2ccccc2F)cs1.
What is the InChIKey of 2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is VAPPFOVZFWAFRH-KBPBESRZSA-N. The full InChI is InChI=1S/C17H17FN6O3S/c1-22-13-14(23(2)17(22)27)24(16(26)21-13)7-12(25)20-15-19-11(8-28-15)9-5-3-4-6-10(9)18/h3-6,8,13-14H,7H2,1-2H3,(H,21,26)(H,19,20,25)/t13-,14-/m0/s1.
What are the key properties of 2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 404.43 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 51598785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).