6-(4,5-dihydro-1H-imidazol-2-yl)-2-(methylamino)-10,10-dioxothioxanthen-9-one

C17H15N3O3S — CID 10640975

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-2-(methylamino)-10,10-dioxothioxanthen-9-one
SMILESCNc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O
InChIInChI=1S/C17H15N3O3S/c1-18-11-3-5-14-13(9-11)16(21)12-4-2-10(17-19-6-7-20-17)8-15(12)24(14,22)23/h2-5,8-9,18H,6-7H2,1H3,(H,19,20)
InChIKeyRUTADRONBXZEJH-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.46
Rot. Bonds2

About 6-(4,5-dihydro-1H-imidazol-2-yl)-2-(methylamino)-10,10-dioxothioxanthen-9-one

6-(4,5-dihydro-1H-imidazol-2-yl)-2-(methylamino)-10,10-dioxothioxanthen-9-one (PubChem CID 10640975) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-(methylamino)-10,10-dioxothioxanthen-9-one.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-(methylamino)-10,10-dioxothioxanthen-9-one
PubChem CID10640975
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-(methylamino)-10,10-dioxothioxanthen-9-one
SMILESCNc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O
InChIInChI=1S/C17H15N3O3S/c1-18-11-3-5-14-13(9-11)16(21)12-4-2-10(17-19-6-7-20-17)8-15(12)24(14,22)23/h2-5,8-9,18H,6-7H2,1H3,(H,19,20)
InChIKeyRUTADRONBXZEJH-UHFFFAOYSA-N
XLogP1.46
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-(methylamino)-10,10-dioxothioxanthen-9-one?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-(methylamino)-10,10-dioxothioxanthen-9-one (CID 10640975) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-(methylamino)-10,10-dioxothioxanthen-9-one.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-(methylamino)-10,10-dioxothioxanthen-9-one?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-(methylamino)-10,10-dioxothioxanthen-9-one is CNc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-(methylamino)-10,10-dioxothioxanthen-9-one?
The InChIKey is RUTADRONBXZEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-18-11-3-5-14-13(9-11)16(21)12-4-2-10(17-19-6-7-20-17)8-15(12)24(14,22)23/h2-5,8-9,18H,6-7H2,1H3,(H,19,20).
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-(methylamino)-10,10-dioxothioxanthen-9-one?
6-(4,5-dihydro-1H-imidazol-2-yl)-2-(methylamino)-10,10-dioxothioxanthen-9-one has a molecular weight of 341.39 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-(methylamino)-10,10-dioxothioxanthen-9-one is sourced from PubChem (CID 10640975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).