4-(2-methyl-1H-indol-3-yl)-2-sulfanylidene-3H-1,3-thiazin-6-one

C13H10N2OS2 — CID 23770921

IUPAC4-(2-methyl-1H-indol-3-yl)-2-sulfanylidene-3H-1,3-thiazin-6-one
SMILESCc1[nH]c2ccccc2c1-c1cc(=O)sc(=S)[nH]1
InChIInChI=1S/C13H10N2OS2/c1-7-12(8-4-2-3-5-9(8)14-7)10-6-11(16)18-13(17)15-10/h2-6,14H,1H3,(H,15,17)
InChIKeyDPQMMJGJUXDMMM-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.62
Rot. Bonds1

About 4-(2-methyl-1H-indol-3-yl)-2-sulfanylidene-3H-1,3-thiazin-6-one

4-(2-methyl-1H-indol-3-yl)-2-sulfanylidene-3H-1,3-thiazin-6-one (PubChem CID 23770921) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-(2-methyl-1H-indol-3-yl)-2-sulfanylidene-3H-1,3-thiazin-6-one.

Molecular Properties

Compound Name4-(2-methyl-1H-indol-3-yl)-2-sulfanylidene-3H-1,3-thiazin-6-one
PubChem CID23770921
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC Name4-(2-methyl-1H-indol-3-yl)-2-sulfanylidene-3H-1,3-thiazin-6-one
SMILESCc1[nH]c2ccccc2c1-c1cc(=O)sc(=S)[nH]1
InChIInChI=1S/C13H10N2OS2/c1-7-12(8-4-2-3-5-9(8)14-7)10-6-11(16)18-13(17)15-10/h2-6,14H,1H3,(H,15,17)
InChIKeyDPQMMJGJUXDMMM-UHFFFAOYSA-N
XLogP3.62
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
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 4-(2-methyl-1H-indol-3-yl)-2-sulfanylidene-3H-1,3-thiazin-6-one?
The IUPAC name of 4-(2-methyl-1H-indol-3-yl)-2-sulfanylidene-3H-1,3-thiazin-6-one (CID 23770921) is 4-(2-methyl-1H-indol-3-yl)-2-sulfanylidene-3H-1,3-thiazin-6-one.
What is the SMILES notation for 4-(2-methyl-1H-indol-3-yl)-2-sulfanylidene-3H-1,3-thiazin-6-one?
The canonical SMILES for 4-(2-methyl-1H-indol-3-yl)-2-sulfanylidene-3H-1,3-thiazin-6-one is Cc1[nH]c2ccccc2c1-c1cc(=O)sc(=S)[nH]1.
What is the InChIKey of 4-(2-methyl-1H-indol-3-yl)-2-sulfanylidene-3H-1,3-thiazin-6-one?
The InChIKey is DPQMMJGJUXDMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c1-7-12(8-4-2-3-5-9(8)14-7)10-6-11(16)18-13(17)15-10/h2-6,14H,1H3,(H,15,17).
What are the key properties of 4-(2-methyl-1H-indol-3-yl)-2-sulfanylidene-3H-1,3-thiazin-6-one?
4-(2-methyl-1H-indol-3-yl)-2-sulfanylidene-3H-1,3-thiazin-6-one has a molecular weight of 274.37 g/mol, XLogP of 3.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1H-indol-3-yl)-2-sulfanylidene-3H-1,3-thiazin-6-one is sourced from PubChem (CID 23770921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).