3,3-dimethyl-6-(3-methylphenyl)-7-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-5-one

C14H16N2OS2 — CID 110190121

IUPAC3,3-dimethyl-6-(3-methylphenyl)-7-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-5-one
SMILESCc1cccc(N2C(=O)N3C(CSC3(C)C)C2=S)c1
InChIInChI=1S/C14H16N2OS2/c1-9-5-4-6-10(7-9)15-12(18)11-8-19-14(2,3)16(11)13(15)17/h4-7,11H,8H2,1-3H3
InChIKeyDUDNTEWWDJFCDC-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.42
Rot. Bonds1

About 3,3-dimethyl-6-(3-methylphenyl)-7-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-5-one

3,3-dimethyl-6-(3-methylphenyl)-7-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-5-one (PubChem CID 110190121) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 3,3-dimethyl-6-(3-methylphenyl)-7-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-5-one.

Molecular Properties

Compound Name3,3-dimethyl-6-(3-methylphenyl)-7-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-5-one
PubChem CID110190121
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name3,3-dimethyl-6-(3-methylphenyl)-7-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-5-one
SMILESCc1cccc(N2C(=O)N3C(CSC3(C)C)C2=S)c1
InChIInChI=1S/C14H16N2OS2/c1-9-5-4-6-10(7-9)15-12(18)11-8-19-14(2,3)16(11)13(15)17/h4-7,11H,8H2,1-3H3
InChIKeyDUDNTEWWDJFCDC-UHFFFAOYSA-N
XLogP3.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.42
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 3,3-dimethyl-6-(3-methylphenyl)-7-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-5-one?
The IUPAC name of 3,3-dimethyl-6-(3-methylphenyl)-7-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-5-one (CID 110190121) is 3,3-dimethyl-6-(3-methylphenyl)-7-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-5-one.
What is the SMILES notation for 3,3-dimethyl-6-(3-methylphenyl)-7-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-5-one?
The canonical SMILES for 3,3-dimethyl-6-(3-methylphenyl)-7-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-5-one is Cc1cccc(N2C(=O)N3C(CSC3(C)C)C2=S)c1.
What is the InChIKey of 3,3-dimethyl-6-(3-methylphenyl)-7-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-5-one?
The InChIKey is DUDNTEWWDJFCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-9-5-4-6-10(7-9)15-12(18)11-8-19-14(2,3)16(11)13(15)17/h4-7,11H,8H2,1-3H3.
What are the key properties of 3,3-dimethyl-6-(3-methylphenyl)-7-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-5-one?
3,3-dimethyl-6-(3-methylphenyl)-7-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-5-one has a molecular weight of 292.43 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(3-methylphenyl)-7-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-5-one is sourced from PubChem (CID 110190121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).