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

C15H16N6O3S — CID 70788117

IUPAC3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(CCC1NC(=O)NC1=O)NCCc1csc(-c2ncccn2)n1
InChIInChI=1S/C15H16N6O3S/c22-11(3-2-10-13(23)21-15(24)20-10)16-7-4-9-8-25-14(19-9)12-17-5-1-6-18-12/h1,5-6,8,10H,2-4,7H2,(H,16,22)(H2,20,21,23,24)
InChIKeyVTPKARRDETXBGT-UHFFFAOYSA-N
MW360.40 g/mol
LogP0.25
Rot. Bonds7

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

3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 70788117) has the molecular formula C15H16N6O3S and a molecular weight of 360.40 g/mol. Its IUPAC name is 3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID70788117
Molecular FormulaC15H16N6O3S
Molecular Weight360.40 g/mol
Exact Mass360.10
IUPAC Name3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(CCC1NC(=O)NC1=O)NCCc1csc(-c2ncccn2)n1
InChIInChI=1S/C15H16N6O3S/c22-11(3-2-10-13(23)21-15(24)20-10)16-7-4-9-8-25-14(19-9)12-17-5-1-6-18-12/h1,5-6,8,10H,2-4,7H2,(H,16,22)(H2,20,21,23,24)
InChIKeyVTPKARRDETXBGT-UHFFFAOYSA-N
XLogP0.25
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dioxoimidazolidin-4-yl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 70772607
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3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 97130974
2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
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3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 75511825
N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide
CID 94646293
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 86285451
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide
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3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 95875737

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide (CID 70788117) is 3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide is O=C(CCC1NC(=O)NC1=O)NCCc1csc(-c2ncccn2)n1.
What is the InChIKey of 3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is VTPKARRDETXBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3S/c22-11(3-2-10-13(23)21-15(24)20-10)16-7-4-9-8-25-14(19-9)12-17-5-1-6-18-12/h1,5-6,8,10H,2-4,7H2,(H,16,22)(H2,20,21,23,24).
What are the key properties of 3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide?
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 360.40 g/mol, XLogP of 0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 70788117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).