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

C19H16N4O3S2 — CID 51949429

IUPACN-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESC[C@@]1(c2cccc(NC(=O)Cc3csc(-c4ccsc4)n3)c2)NC(=O)NC1=O
InChIInChI=1S/C19H16N4O3S2/c1-19(17(25)22-18(26)23-19)12-3-2-4-13(7-12)20-15(24)8-14-10-28-16(21-14)11-5-6-27-9-11/h2-7,9-10H,8H2,1H3,(H,20,24)(H2,22,23,25,26)/t19-/m0/s1
InChIKeyYAQIZFIXQIWYNY-IBGZPJMESA-N
MW412.50 g/mol
LogP3.11
Rot. Bonds5

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

N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 51949429) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID51949429
Molecular FormulaC19H16N4O3S2
Molecular Weight412.50 g/mol
Exact Mass412.07
IUPAC NameN-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESC[C@@]1(c2cccc(NC(=O)Cc3csc(-c4ccsc4)n3)c2)NC(=O)NC1=O
InChIInChI=1S/C19H16N4O3S2/c1-19(17(25)22-18(26)23-19)12-3-2-4-13(7-12)20-15(24)8-14-10-28-16(21-14)11-5-6-27-9-11/h2-7,9-10H,8H2,1H3,(H,20,24)(H2,22,23,25,26)/t19-/m0/s1
InChIKeyYAQIZFIXQIWYNY-IBGZPJMESA-N
XLogP3.11
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8927230
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9255503
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 129368217
N-(4-bromo-3-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8926939
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 52502832
N-[3-(morpholin-4-ylmethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 47776659
tert-butyl N-methyl-N-[[3-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]methyl]carbamate
CID 55647682
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 37015475
7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide
CID 119728470
N-[3-chloro-4-(dimethylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 55825141
[2-(3-nitroanilino)-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129391
[2-(3-methoxyanilino)-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129205

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 51949429) is N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is C[C@@]1(c2cccc(NC(=O)Cc3csc(-c4ccsc4)n3)c2)NC(=O)NC1=O.
What is the InChIKey of N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is YAQIZFIXQIWYNY-IBGZPJMESA-N. The full InChI is InChI=1S/C19H16N4O3S2/c1-19(17(25)22-18(26)23-19)12-3-2-4-13(7-12)20-15(24)8-14-10-28-16(21-14)11-5-6-27-9-11/h2-7,9-10H,8H2,1H3,(H,20,24)(H2,22,23,25,26)/t19-/m0/s1.
What are the key properties of N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 412.50 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 51949429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).