N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide

C18H20N4O4S — CID 71828189

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3nc(C)c(C)s3)C2=O)cc1
InChIInChI=1S/C18H20N4O4S/c1-10-11(2)27-17(19-10)21-15(23)8-14-16(24)22(18(25)20-14)9-12-4-6-13(26-3)7-5-12/h4-7,14H,8-9H2,1-3H3,(H,20,25)(H,19,21,23)/t14-/m0/s1
InChIKeyAMEJWNBTNDZTAL-AWEZNQCLSA-N
MW388.45 g/mol
LogP2.22
Rot. Bonds6

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 71828189) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID71828189
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3nc(C)c(C)s3)C2=O)cc1
InChIInChI=1S/C18H20N4O4S/c1-10-11(2)27-17(19-10)21-15(23)8-14-16(24)22(18(25)20-14)9-12-4-6-13(26-3)7-5-12/h4-7,14H,8-9H2,1-3H3,(H,20,25)(H,19,21,23)/t14-/m0/s1
InChIKeyAMEJWNBTNDZTAL-AWEZNQCLSA-N
XLogP2.22
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.22
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

2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71708282
N-(4-methoxyphenyl)-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99871007
2-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 124862588
2-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 91639108
methyl 2-[[2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 124864373
N-(2-hydroxyethyl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75491048
N-(3-acetamidophenyl)-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75356866
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725
2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 124864442
methyl 2-[[2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 91640453
N-cyclohexyl-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124863994
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
CID 71709403

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 71828189) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3nc(C)c(C)s3)C2=O)cc1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is AMEJWNBTNDZTAL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-10-11(2)27-17(19-10)21-15(23)8-14-16(24)22(18(25)20-14)9-12-4-6-13(26-3)7-5-12/h4-7,14H,8-9H2,1-3H3,(H,20,25)(H,19,21,23)/t14-/m0/s1.
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 388.45 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 71828189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).