ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(1,3-thiazol-4-yl)propanamide

About ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(1,3-thiazol-4-yl)propanamide

ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 143528477) has the molecular formula C26H29FN4O5S and a molecular weight of 528.61 g/mol. Its IUPAC name is ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound Name	ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(1,3-thiazol-4-yl)propanamide
PubChem CID	143528477
Molecular Formula	C26H29FN4O5S
Molecular Weight	528.61 g/mol
Exact Mass	528.18
IUPAC Name	ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(1,3-thiazol-4-yl)propanamide
SMILES	CC.Cc1ccc(NC(=O)C(Cc2cscn2)N2C(=O)N[C@H](c3ccc(OCCO)cc3)C2=O)c(F)c1
InChI	InChI=1S/C24H23FN4O5S.C2H6/c1-14-2-7-19(18(25)10-14)27-22(31)20(11-16-12-35-13-26-16)29-23(32)21(28-24(29)33)15-3-5-17(6-4-15)34-9-8-30;1-2/h2-7,10,12-13,20-21,30H,8-9,11H2,1H3,(H,27,31)(H,28,33);1-2H3/t20?,21-;/m1./s1
InChIKey	RTVCHTXXOXVQHX-IYZPEQFLSA-N
XLogP	3.83
TPSA	120.86 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	9
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.61
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(1,3-thiazol-4-yl)propanamide?

The IUPAC name of ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(1,3-thiazol-4-yl)propanamide (CID 143528477) is ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(1,3-thiazol-4-yl)propanamide.

What is the SMILES notation for ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(1,3-thiazol-4-yl)propanamide?

The canonical SMILES for ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(1,3-thiazol-4-yl)propanamide is CC.Cc1ccc(NC(=O)C(Cc2cscn2)N2C(=O)N[C@H](c3ccc(OCCO)cc3)C2=O)c(F)c1.

What is the InChIKey of ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(1,3-thiazol-4-yl)propanamide?

The InChIKey is RTVCHTXXOXVQHX-IYZPEQFLSA-N. The full InChI is InChI=1S/C24H23FN4O5S.C2H6/c1-14-2-7-19(18(25)10-14)27-22(31)20(11-16-12-35-13-26-16)29-23(32)21(28-24(29)33)15-3-5-17(6-4-15)34-9-8-30;1-2/h2-7,10,12-13,20-21,30H,8-9,11H2,1H3,(H,27,31)(H,28,33);1-2H3/t20?,21-;/m1./s1.

What are the key properties of ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(1,3-thiazol-4-yl)propanamide?

ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(1,3-thiazol-4-yl)propanamide has a molecular weight of 528.61 g/mol, XLogP of 3.83, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 143528477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).