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

C5H6N2O2S — CID 738161

IUPAC(7aS)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESO=C1NC(=O)N2CSC[C@H]12
InChIInChI=1S/C5H6N2O2S/c8-4-3-1-10-2-7(3)5(9)6-4/h3H,1-2H2,(H,6,8,9)/t3-/m1/s1
InChIKeyVSHNGALPNIMBCM-GSVOUGTGSA-N
MW158.18 g/mol
LogP-0.39
Rot. Bonds

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

(7aS)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (PubChem CID 738161) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is (7aS)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.

Molecular Properties

Compound Name(7aS)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
PubChem CID738161
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name(7aS)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESO=C1NC(=O)N2CSC[C@H]12
InChIInChI=1S/C5H6N2O2S/c8-4-3-1-10-2-7(3)5(9)6-4/h3H,1-2H2,(H,6,8,9)/t3-/m1/s1
InChIKeyVSHNGALPNIMBCM-GSVOUGTGSA-N
XLogP-0.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
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)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The IUPAC name of (7aS)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (CID 738161) is (7aS)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.
What is the SMILES notation for (7aS)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The canonical SMILES for (7aS)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is O=C1NC(=O)N2CSC[C@H]12.
What is the InChIKey of (7aS)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The InChIKey is VSHNGALPNIMBCM-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H6N2O2S/c8-4-3-1-10-2-7(3)5(9)6-4/h3H,1-2H2,(H,6,8,9)/t3-/m1/s1.
What are the key properties of (7aS)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
(7aS)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione has a molecular weight of 158.18 g/mol, XLogP of -0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is sourced from PubChem (CID 738161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).