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

C19H24N4O4S — CID 99871054

IUPAC3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-4-methyl-2,3-dihydro-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N[C@H]3NC(C)=CS3)C2=O)cc1
InChIInChI=1S/C19H24N4O4S/c1-12-11-28-18(20-12)22-16(24)8-7-15-17(25)23(19(26)21-15)10-9-13-3-5-14(27-2)6-4-13/h3-6,11,15,18,20H,7-10H2,1-2H3,(H,21,26)(H,22,24)/t15-,18+/m0/s1
InChIKeyVDKWCDPNDAWHLG-MAUKXSAKSA-N
MW404.49 g/mol
LogP1.54
Rot. Bonds8

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

3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-4-methyl-2,3-dihydro-1,3-thiazol-2-yl]propanamide (PubChem CID 99871054) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-4-methyl-2,3-dihydro-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-4-methyl-2,3-dihydro-1,3-thiazol-2-yl]propanamide
PubChem CID99871054
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-4-methyl-2,3-dihydro-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N[C@H]3NC(C)=CS3)C2=O)cc1
InChIInChI=1S/C19H24N4O4S/c1-12-11-28-18(20-12)22-16(24)8-7-15-17(25)23(19(26)21-15)10-9-13-3-5-14(27-2)6-4-13/h3-6,11,15,18,20H,7-10H2,1-2H3,(H,21,26)(H,22,24)/t15-,18+/m0/s1
InChIKeyVDKWCDPNDAWHLG-MAUKXSAKSA-N
XLogP1.54
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-4-methyl-2,3-dihydro-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-4-methyl-2,3-dihydro-1,3-thiazol-2-yl]propanamide (CID 99871054) is 3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-4-methyl-2,3-dihydro-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-4-methyl-2,3-dihydro-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-4-methyl-2,3-dihydro-1,3-thiazol-2-yl]propanamide is COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N[C@H]3NC(C)=CS3)C2=O)cc1.
What is the InChIKey of 3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-4-methyl-2,3-dihydro-1,3-thiazol-2-yl]propanamide?
The InChIKey is VDKWCDPNDAWHLG-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-12-11-28-18(20-12)22-16(24)8-7-15-17(25)23(19(26)21-15)10-9-13-3-5-14(27-2)6-4-13/h3-6,11,15,18,20H,7-10H2,1-2H3,(H,21,26)(H,22,24)/t15-,18+/m0/s1.
What are the key properties of 3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-4-methyl-2,3-dihydro-1,3-thiazol-2-yl]propanamide?
3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-4-methyl-2,3-dihydro-1,3-thiazol-2-yl]propanamide has a molecular weight of 404.49 g/mol, XLogP of 1.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-4-methyl-2,3-dihydro-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 99871054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).