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

C9H14N2O2S — CID 10059095

IUPAC(7aR)-6-butyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESCCCCN1C(=O)[C@@H]2CSCN2C1=O
InChIInChI=1S/C9H14N2O2S/c1-2-3-4-10-8(12)7-5-14-6-11(7)9(10)13/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyIQHKVROIAXGHAR-ZETCQYMHSA-N
MW214.29 g/mol
LogP1.12
Rot. Bonds3

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

(7aR)-6-butyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (PubChem CID 10059095) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is (7aR)-6-butyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.

Molecular Properties

Compound Name(7aR)-6-butyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
PubChem CID10059095
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name(7aR)-6-butyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESCCCCN1C(=O)[C@@H]2CSCN2C1=O
InChIInChI=1S/C9H14N2O2S/c1-2-3-4-10-8(12)7-5-14-6-11(7)9(10)13/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyIQHKVROIAXGHAR-ZETCQYMHSA-N
XLogP1.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.12
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 (7aR)-6-butyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The IUPAC name of (7aR)-6-butyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (CID 10059095) is (7aR)-6-butyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.
What is the SMILES notation for (7aR)-6-butyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The canonical SMILES for (7aR)-6-butyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is CCCCN1C(=O)[C@@H]2CSCN2C1=O.
What is the InChIKey of (7aR)-6-butyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The InChIKey is IQHKVROIAXGHAR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-2-3-4-10-8(12)7-5-14-6-11(7)9(10)13/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (7aR)-6-butyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
(7aR)-6-butyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione has a molecular weight of 214.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-6-butyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is sourced from PubChem (CID 10059095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).