(7aS)-6-ethyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione

C7H10N2O2S — CID 8002961

IUPAC(7aS)-6-ethyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESCCN1C(=O)[C@H]2CSCN2C1=O
InChIInChI=1S/C7H10N2O2S/c1-2-8-6(10)5-3-12-4-9(5)7(8)11/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyLLLBXHWSWVVZTR-RXMQYKEDSA-N
MW186.24 g/mol
LogP0.34
Rot. Bonds1

About (7aS)-6-ethyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione

(7aS)-6-ethyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (PubChem CID 8002961) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is (7aS)-6-ethyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.

Molecular Properties

Compound Name(7aS)-6-ethyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
PubChem CID8002961
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name(7aS)-6-ethyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESCCN1C(=O)[C@H]2CSCN2C1=O
InChIInChI=1S/C7H10N2O2S/c1-2-8-6(10)5-3-12-4-9(5)7(8)11/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyLLLBXHWSWVVZTR-RXMQYKEDSA-N
XLogP0.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7aS)-6-ethyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The IUPAC name of (7aS)-6-ethyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (CID 8002961) is (7aS)-6-ethyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.
What is the SMILES notation for (7aS)-6-ethyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The canonical SMILES for (7aS)-6-ethyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is CCN1C(=O)[C@H]2CSCN2C1=O.
What is the InChIKey of (7aS)-6-ethyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The InChIKey is LLLBXHWSWVVZTR-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-8-6(10)5-3-12-4-9(5)7(8)11/h5H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (7aS)-6-ethyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
(7aS)-6-ethyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione has a molecular weight of 186.24 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-6-ethyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is sourced from PubChem (CID 8002961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).