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

C14H14N6O3S — CID 97147318

IUPAC3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESO=C(CC[C@@H]1NC(=O)NC1=O)NCc1csc(-c2cnccn2)n1
InChIInChI=1S/C14H14N6O3S/c21-11(2-1-9-12(22)20-14(23)19-9)17-5-8-7-24-13(18-8)10-6-15-3-4-16-10/h3-4,6-7,9H,1-2,5H2,(H,17,21)(H2,19,20,22,23)/t9-/m0/s1
InChIKeyYOYDMPGUPBKPMD-VIFPVBQESA-N
MW346.37 g/mol
LogP0.20
Rot. Bonds6

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

3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 97147318) has the molecular formula C14H14N6O3S and a molecular weight of 346.37 g/mol. Its IUPAC name is 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID97147318
Molecular FormulaC14H14N6O3S
Molecular Weight346.37 g/mol
Exact Mass346.08
IUPAC Name3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESO=C(CC[C@@H]1NC(=O)NC1=O)NCc1csc(-c2cnccn2)n1
InChIInChI=1S/C14H14N6O3S/c21-11(2-1-9-12(22)20-14(23)19-9)17-5-8-7-24-13(18-8)10-6-15-3-4-16-10/h3-4,6-7,9H,1-2,5H2,(H,17,21)(H2,19,20,22,23)/t9-/m0/s1
InChIKeyYOYDMPGUPBKPMD-VIFPVBQESA-N
XLogP0.20
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 97147318) is 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide is O=C(CC[C@@H]1NC(=O)NC1=O)NCc1csc(-c2cnccn2)n1.
What is the InChIKey of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is YOYDMPGUPBKPMD-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14N6O3S/c21-11(2-1-9-12(22)20-14(23)19-9)17-5-8-7-24-13(18-8)10-6-15-3-4-16-10/h3-4,6-7,9H,1-2,5H2,(H,17,21)(H2,19,20,22,23)/t9-/m0/s1.
What are the key properties of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 346.37 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 97147318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).