N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C20H18N4O3S2 — CID 92786925

IUPACN-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2csc(-c3ccsc3)n2)C1=O
InChIInChI=1S/C20H18N4O3S2/c1-20(9-7-13-5-3-2-4-6-13)18(26)24(19(27)22-20)23-16(25)15-12-29-17(21-15)14-8-10-28-11-14/h2-6,8,10-12H,7,9H2,1H3,(H,22,27)(H,23,25)/t20-/m1/s1
InChIKeyUKLKDXBGQKIKCS-HXUWFJFHSA-N
MW426.52 g/mol
LogP3.46
Rot. Bonds6

About N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 92786925) has the molecular formula C20H18N4O3S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID92786925
Molecular FormulaC20H18N4O3S2
Molecular Weight426.52 g/mol
Exact Mass426.08
IUPAC NameN-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2csc(-c3ccsc3)n2)C1=O
InChIInChI=1S/C20H18N4O3S2/c1-20(9-7-13-5-3-2-4-6-13)18(26)24(19(27)22-20)23-16(25)15-12-29-17(21-15)14-8-10-28-11-14/h2-6,8,10-12H,7,9H2,1H3,(H,22,27)(H,23,25)/t20-/m1/s1
InChIKeyUKLKDXBGQKIKCS-HXUWFJFHSA-N
XLogP3.46
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55789437
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 31435198
3-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]thiophene-2-carboxamide
CID 42920177
5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-pyrazole-3-carboxamide
CID 60521215
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-pyrrol-1-ylbenzamide
CID 9266876
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide
CID 40972041
benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 51238548
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 9437588
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 41253517
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-piperidin-1-ylacetamide
CID 18087188
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 92786925) is N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2csc(-c3ccsc3)n2)C1=O.
What is the InChIKey of N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is UKLKDXBGQKIKCS-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H18N4O3S2/c1-20(9-7-13-5-3-2-4-6-13)18(26)24(19(27)22-20)23-16(25)15-12-29-17(21-15)14-8-10-28-11-14/h2-6,8,10-12H,7,9H2,1H3,(H,22,27)(H,23,25)/t20-/m1/s1.
What are the key properties of N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 92786925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).