1-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]imidazolidine-2,4-dione

C13H13N5O2S — CID 9351353

IUPAC1-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]imidazolidine-2,4-dione
SMILESCc1cc(/C=N\N2CC(=O)NC2=O)c(C)n1-c1nccs1
InChIInChI=1S/C13H13N5O2S/c1-8-5-10(6-15-17-7-11(19)16-12(17)20)9(2)18(8)13-14-3-4-21-13/h3-6H,7H2,1-2H3,(H,16,19,20)/b15-6-
InChIKeyDGKOPBGZZLBLHS-UUASQNMZSA-N
MW303.35 g/mol
LogP1.44
Rot. Bonds3

About 1-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]imidazolidine-2,4-dione

1-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]imidazolidine-2,4-dione (PubChem CID 9351353) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]imidazolidine-2,4-dione
PubChem CID9351353
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name1-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]imidazolidine-2,4-dione
SMILESCc1cc(/C=N\N2CC(=O)NC2=O)c(C)n1-c1nccs1
InChIInChI=1S/C13H13N5O2S/c1-8-5-10(6-15-17-7-11(19)16-12(17)20)9(2)18(8)13-14-3-4-21-13/h3-6H,7H2,1-2H3,(H,16,19,20)/b15-6-
InChIKeyDGKOPBGZZLBLHS-UUASQNMZSA-N
XLogP1.44
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanimine
CID 9194555
N'-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]oxamide
CID 9212293
N-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]-4-methylaniline
CID 9211279
3-(2-cyclohexylethyl)-4-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]-1H-1,2,4-triazole-5-thione
CID 9293803
2-bromo-N-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]benzamide
CID 9194750
1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione
CID 163230366
N-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9231809
ethane;1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione
CID 163230417
N-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]-2-(trifluoromethyl)aniline
CID 9211579
(2S)-N-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]-2-(4-fluorophenoxy)propanamide
CID 9294232
2-(2,5-dimethylphenoxy)-N-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]acetamide
CID 9217666
2-(4-cyanophenoxy)-N-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]acetamide
CID 9217756

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]imidazolidine-2,4-dione (CID 9351353) is 1-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]imidazolidine-2,4-dione is Cc1cc(/C=N\N2CC(=O)NC2=O)c(C)n1-c1nccs1.
What is the InChIKey of 1-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]imidazolidine-2,4-dione?
The InChIKey is DGKOPBGZZLBLHS-UUASQNMZSA-N. The full InChI is InChI=1S/C13H13N5O2S/c1-8-5-10(6-15-17-7-11(19)16-12(17)20)9(2)18(8)13-14-3-4-21-13/h3-6H,7H2,1-2H3,(H,16,19,20)/b15-6-.
What are the key properties of 1-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]imidazolidine-2,4-dione?
1-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]imidazolidine-2,4-dione has a molecular weight of 303.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 9351353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).