3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide

C12H16N4O3S — CID 97130974

IUPAC3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCCc1csc(CNC(=O)CC[C@H]2NC(=O)NC2=O)n1
InChIInChI=1S/C12H16N4O3S/c1-2-7-6-20-10(14-7)5-13-9(17)4-3-8-11(18)16-12(19)15-8/h6,8H,2-5H2,1H3,(H,13,17)(H2,15,16,18,19)/t8-/m1/s1
InChIKeyLTJKELAIRZESFC-MRVPVSSYSA-N
MW296.35 g/mol
LogP0.31
Rot. Bonds6

About 3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide

3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide (PubChem CID 97130974) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide
PubChem CID97130974
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCCc1csc(CNC(=O)CC[C@H]2NC(=O)NC2=O)n1
InChIInChI=1S/C12H16N4O3S/c1-2-7-6-20-10(14-7)5-13-9(17)4-3-8-11(18)16-12(19)15-8/h6,8H,2-5H2,1H3,(H,13,17)(H2,15,16,18,19)/t8-/m1/s1
InChIKeyLTJKELAIRZESFC-MRVPVSSYSA-N
XLogP0.31
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide?
The IUPAC name of 3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide (CID 97130974) is 3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide is CCc1csc(CNC(=O)CC[C@H]2NC(=O)NC2=O)n1.
What is the InChIKey of 3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide?
The InChIKey is LTJKELAIRZESFC-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-2-7-6-20-10(14-7)5-13-9(17)4-3-8-11(18)16-12(19)15-8/h6,8H,2-5H2,1H3,(H,13,17)(H2,15,16,18,19)/t8-/m1/s1.
What are the key properties of 3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide?
3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide has a molecular weight of 296.35 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 97130974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).