6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-(propylamino)thioxanthen-9-one

C19H19N3O3S — CID 10785329

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-(propylamino)thioxanthen-9-one
SMILESCCCNc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O
InChIInChI=1S/C19H19N3O3S/c1-2-7-20-13-4-6-16-15(11-13)18(23)14-5-3-12(19-21-8-9-22-19)10-17(14)26(16,24)25/h3-6,10-11,20H,2,7-9H2,1H3,(H,21,22)
InChIKeyNXOIPQHKOIEAQT-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.24
Rot. Bonds4

About 6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-(propylamino)thioxanthen-9-one

6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-(propylamino)thioxanthen-9-one (PubChem CID 10785329) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-(propylamino)thioxanthen-9-one.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-(propylamino)thioxanthen-9-one
PubChem CID10785329
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-(propylamino)thioxanthen-9-one
SMILESCCCNc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O
InChIInChI=1S/C19H19N3O3S/c1-2-7-20-13-4-6-16-15(11-13)18(23)14-5-3-12(19-21-8-9-22-19)10-17(14)26(16,24)25/h3-6,10-11,20H,2,7-9H2,1H3,(H,21,22)
InChIKeyNXOIPQHKOIEAQT-UHFFFAOYSA-N
XLogP2.24
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.24
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)-10,10-dioxo-2-(propylamino)thioxanthen-9-one?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-(propylamino)thioxanthen-9-one (CID 10785329) is 6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-(propylamino)thioxanthen-9-one.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-(propylamino)thioxanthen-9-one?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-(propylamino)thioxanthen-9-one is CCCNc1ccc2c(c1)C(=O)c1ccc(C3=NCCN3)cc1S2(=O)=O.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-(propylamino)thioxanthen-9-one?
The InChIKey is NXOIPQHKOIEAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-2-7-20-13-4-6-16-15(11-13)18(23)14-5-3-12(19-21-8-9-22-19)10-17(14)26(16,24)25/h3-6,10-11,20H,2,7-9H2,1H3,(H,21,22).
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-(propylamino)thioxanthen-9-one?
6-(4,5-dihydro-1H-imidazol-2-yl)-10,10-dioxo-2-(propylamino)thioxanthen-9-one has a molecular weight of 369.45 g/mol, XLogP of 2.24, 4 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)-10,10-dioxo-2-(propylamino)thioxanthen-9-one is sourced from PubChem (CID 10785329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).