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

C17H18N4OS2 — CID 19614178

IUPAC6-(1,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
SMILESCc1ccc(C2SCC3C(=O)N(c4cc(C)n(C)n4)C(=S)N32)cc1
InChIInChI=1S/C17H18N4OS2/c1-10-4-6-12(7-5-10)16-20-13(9-24-16)15(22)21(17(20)23)14-8-11(2)19(3)18-14/h4-8,13,16H,9H2,1-3H3
InChIKeyZTBVCOUZCXDTOF-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.78
Rot. Bonds2

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

6-(1,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one (PubChem CID 19614178) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 6-(1,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one.

Molecular Properties

Compound Name6-(1,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
PubChem CID19614178
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC Name6-(1,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
SMILESCc1ccc(C2SCC3C(=O)N(c4cc(C)n(C)n4)C(=S)N32)cc1
InChIInChI=1S/C17H18N4OS2/c1-10-4-6-12(7-5-10)16-20-13(9-24-16)15(22)21(17(20)23)14-8-11(2)19(3)18-14/h4-8,13,16H,9H2,1-3H3
InChIKeyZTBVCOUZCXDTOF-UHFFFAOYSA-N
XLogP2.78
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(1,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The IUPAC name of 6-(1,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one (CID 19614178) is 6-(1,5-dimethylpyrazol-3-yl)-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-(1,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The canonical SMILES for 6-(1,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one is Cc1ccc(C2SCC3C(=O)N(c4cc(C)n(C)n4)C(=S)N32)cc1.
What is the InChIKey of 6-(1,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
The InChIKey is ZTBVCOUZCXDTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-10-4-6-12(7-5-10)16-20-13(9-24-16)15(22)21(17(20)23)14-8-11(2)19(3)18-14/h4-8,13,16H,9H2,1-3H3.
What are the key properties of 6-(1,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one?
6-(1,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one has a molecular weight of 358.49 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one is sourced from PubChem (CID 19614178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).