(7aS)-6-(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazol-7-one

C11H9ClN2OS2 — CID 6934288

IUPAC(7aS)-6-(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazol-7-one
SMILESO=C1[C@@H]2SCCN2C(=S)N1c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2OS2/c12-7-1-3-8(4-2-7)14-9(15)10-13(11(14)16)5-6-17-10/h1-4,10H,5-6H2/t10-/m0/s1
InChIKeyUCXAZCSLNKFPFQ-JTQLQIEISA-N
MW284.79 g/mol
LogP2.35
Rot. Bonds1

About (7aS)-6-(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazol-7-one

(7aS)-6-(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazol-7-one (PubChem CID 6934288) has the molecular formula C11H9ClN2OS2 and a molecular weight of 284.79 g/mol. Its IUPAC name is (7aS)-6-(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazol-7-one.

Molecular Properties

Compound Name(7aS)-6-(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazol-7-one
PubChem CID6934288
Molecular FormulaC11H9ClN2OS2
Molecular Weight284.79 g/mol
Exact Mass283.98
IUPAC Name(7aS)-6-(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazol-7-one
SMILESO=C1[C@@H]2SCCN2C(=S)N1c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2OS2/c12-7-1-3-8(4-2-7)14-9(15)10-13(11(14)16)5-6-17-10/h1-4,10H,5-6H2/t10-/m0/s1
InChIKeyUCXAZCSLNKFPFQ-JTQLQIEISA-N
XLogP2.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7aS)-6-(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazol-7-one?
The IUPAC name of (7aS)-6-(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazol-7-one (CID 6934288) is (7aS)-6-(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazol-7-one.
What is the SMILES notation for (7aS)-6-(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazol-7-one?
The canonical SMILES for (7aS)-6-(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazol-7-one is O=C1[C@@H]2SCCN2C(=S)N1c1ccc(Cl)cc1.
What is the InChIKey of (7aS)-6-(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazol-7-one?
The InChIKey is UCXAZCSLNKFPFQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H9ClN2OS2/c12-7-1-3-8(4-2-7)14-9(15)10-13(11(14)16)5-6-17-10/h1-4,10H,5-6H2/t10-/m0/s1.
What are the key properties of (7aS)-6-(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazol-7-one?
(7aS)-6-(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazol-7-one has a molecular weight of 284.79 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-6-(4-chlorophenyl)-5-sulfanylidene-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazol-7-one is sourced from PubChem (CID 6934288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).