6-cyclohexyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one

C11H16N2OS2 — CID 3883467

IUPAC6-cyclohexyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
SMILESO=C1C2CSCN2C(=S)N1C1CCCCC1
InChIInChI=1S/C11H16N2OS2/c14-10-9-6-16-7-12(9)11(15)13(10)8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeySYMWGZAZSIKWQH-UHFFFAOYSA-N
MW256.40 g/mol
LogP1.82
Rot. Bonds1

About 6-cyclohexyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one

6-cyclohexyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one (PubChem CID 3883467) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 6-cyclohexyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one.

Molecular Properties

Compound Name6-cyclohexyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
PubChem CID3883467
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC Name6-cyclohexyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
SMILESO=C1C2CSCN2C(=S)N1C1CCCCC1
InChIInChI=1S/C11H16N2OS2/c14-10-9-6-16-7-12(9)11(15)13(10)8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeySYMWGZAZSIKWQH-UHFFFAOYSA-N
XLogP1.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 51.82
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 6-cyclohexyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The IUPAC name of 6-cyclohexyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one (CID 3883467) is 6-cyclohexyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one.
What is the SMILES notation for 6-cyclohexyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The canonical SMILES for 6-cyclohexyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one is O=C1C2CSCN2C(=S)N1C1CCCCC1.
What is the InChIKey of 6-cyclohexyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The InChIKey is SYMWGZAZSIKWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c14-10-9-6-16-7-12(9)11(15)13(10)8-4-2-1-3-5-8/h8-9H,1-7H2.
What are the key properties of 6-cyclohexyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
6-cyclohexyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one has a molecular weight of 256.40 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one is sourced from PubChem (CID 3883467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).