2-[(3,5-dimethyl-1,2-thiazol-4-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

C12H15N3O2S — CID 126830668

IUPAC2-[(3,5-dimethyl-1,2-thiazol-4-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCc1nsc(C)c1CN1C(=O)C2CCCN2C1=O
InChIInChI=1S/C12H15N3O2S/c1-7-9(8(2)18-13-7)6-15-11(16)10-4-3-5-14(10)12(15)17/h10H,3-6H2,1-2H3
InChIKeyYWDXZOPRPHPGOO-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.69
Rot. Bonds2

About 2-[(3,5-dimethyl-1,2-thiazol-4-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

2-[(3,5-dimethyl-1,2-thiazol-4-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 126830668) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-thiazol-4-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-thiazol-4-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID126830668
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-[(3,5-dimethyl-1,2-thiazol-4-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCc1nsc(C)c1CN1C(=O)C2CCCN2C1=O
InChIInChI=1S/C12H15N3O2S/c1-7-9(8(2)18-13-7)6-15-11(16)10-4-3-5-14(10)12(15)17/h10H,3-6H2,1-2H3
InChIKeyYWDXZOPRPHPGOO-UHFFFAOYSA-N
XLogP1.69
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-thiazol-4-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-[(3,5-dimethyl-1,2-thiazol-4-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 126830668) is 2-[(3,5-dimethyl-1,2-thiazol-4-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-thiazol-4-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-thiazol-4-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is Cc1nsc(C)c1CN1C(=O)C2CCCN2C1=O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-thiazol-4-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is YWDXZOPRPHPGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-7-9(8(2)18-13-7)6-15-11(16)10-4-3-5-14(10)12(15)17/h10H,3-6H2,1-2H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-thiazol-4-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
2-[(3,5-dimethyl-1,2-thiazol-4-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 265.34 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-thiazol-4-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 126830668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).