6-(2,3-dimethylphenyl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one

C20H20N2OS2 — CID 19615283

IUPAC6-(2,3-dimethylphenyl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
SMILESCc1ccc(C2SCC3C(=O)N(c4cccc(C)c4C)C(=S)N32)cc1
InChIInChI=1S/C20H20N2OS2/c1-12-7-9-15(10-8-12)19-22-17(11-25-19)18(23)21(20(22)24)16-6-4-5-13(2)14(16)3/h4-10,17,19H,11H2,1-3H3
InChIKeyCPBGECDEMFSZFP-UHFFFAOYSA-N
MW368.53 g/mol
LogP4.36
Rot. Bonds2

About 6-(2,3-dimethylphenyl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one

6-(2,3-dimethylphenyl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one (PubChem CID 19615283) has the molecular formula C20H20N2OS2 and a molecular weight of 368.53 g/mol. Its IUPAC name is 6-(2,3-dimethylphenyl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one.

Molecular Properties

Compound Name6-(2,3-dimethylphenyl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
PubChem CID19615283
Molecular FormulaC20H20N2OS2
Molecular Weight368.53 g/mol
Exact Mass368.10
IUPAC Name6-(2,3-dimethylphenyl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
SMILESCc1ccc(C2SCC3C(=O)N(c4cccc(C)c4C)C(=S)N32)cc1
InChIInChI=1S/C20H20N2OS2/c1-12-7-9-15(10-8-12)19-22-17(11-25-19)18(23)21(20(22)24)16-6-4-5-13(2)14(16)3/h4-10,17,19H,11H2,1-3H3
InChIKeyCPBGECDEMFSZFP-UHFFFAOYSA-N
XLogP4.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.36
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-(2,3-dimethylphenyl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The IUPAC name of 6-(2,3-dimethylphenyl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one (CID 19615283) is 6-(2,3-dimethylphenyl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one.
What is the SMILES notation for 6-(2,3-dimethylphenyl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The canonical SMILES for 6-(2,3-dimethylphenyl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one is Cc1ccc(C2SCC3C(=O)N(c4cccc(C)c4C)C(=S)N32)cc1.
What is the InChIKey of 6-(2,3-dimethylphenyl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The InChIKey is CPBGECDEMFSZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS2/c1-12-7-9-15(10-8-12)19-22-17(11-25-19)18(23)21(20(22)24)16-6-4-5-13(2)14(16)3/h4-10,17,19H,11H2,1-3H3.
What are the key properties of 6-(2,3-dimethylphenyl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
6-(2,3-dimethylphenyl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one has a molecular weight of 368.53 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylphenyl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one is sourced from PubChem (CID 19615283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).