N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide

C14H16N4O4S — CID 51101012

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(CC)c(C)s2)C1=O
InChIInChI=1S/C14H16N4O4S/c1-4-6-17-11(20)12(21)18(14(17)22)7-10(19)16-13-15-9(5-2)8(3)23-13/h4H,1,5-7H2,2-3H3,(H,15,16,19)
InChIKeyDXNUAVXOLOTJPV-UHFFFAOYSA-N
MW336.37 g/mol
LogP0.93
Rot. Bonds6

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide (PubChem CID 51101012) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
PubChem CID51101012
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(CC)c(C)s2)C1=O
InChIInChI=1S/C14H16N4O4S/c1-4-6-17-11(20)12(21)18(14(17)22)7-10(19)16-13-15-9(5-2)8(3)23-13/h4H,1,5-7H2,2-3H3,(H,15,16,19)
InChIKeyDXNUAVXOLOTJPV-UHFFFAOYSA-N
XLogP0.93
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 61471909
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78886465
4-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 119295908
N-quinolin-2-yl-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 51101284
2-amino-N-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide
CID 54953528
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 119735313
2-[4-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60505092
methyl 4-methyl-3-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]benzoate
CID 7807316
N-[(2S)-3,3-dimethylbutan-2-yl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 95328464
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430638
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 104936659
N-[3-(ethylaminomethyl)phenyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 119438651

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide (CID 51101012) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide is C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(CC)c(C)s2)C1=O.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The InChIKey is DXNUAVXOLOTJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-4-6-17-11(20)12(21)18(14(17)22)7-10(19)16-13-15-9(5-2)8(3)23-13/h4H,1,5-7H2,2-3H3,(H,15,16,19).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide has a molecular weight of 336.37 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 51101012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).