1-(3-fluorophenothiazin-10-yl)-3-(1H-imidazol-2-yl)propan-1-one

C18H14FN3OS — CID 70597637

IUPAC1-(3-fluorophenothiazin-10-yl)-3-(1H-imidazol-2-yl)propan-1-one
SMILESO=C(CCc1ncc[nH]1)N1c2ccccc2Sc2cc(F)ccc21
InChIInChI=1S/C18H14FN3OS/c19-12-5-6-14-16(11-12)24-15-4-2-1-3-13(15)22(14)18(23)8-7-17-20-9-10-21-17/h1-6,9-11H,7-8H2,(H,20,21)
InChIKeyGVADCXBVMPASPC-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.31
Rot. Bonds3

About 1-(3-fluorophenothiazin-10-yl)-3-(1H-imidazol-2-yl)propan-1-one

1-(3-fluorophenothiazin-10-yl)-3-(1H-imidazol-2-yl)propan-1-one (PubChem CID 70597637) has the molecular formula C18H14FN3OS and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-(3-fluorophenothiazin-10-yl)-3-(1H-imidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-fluorophenothiazin-10-yl)-3-(1H-imidazol-2-yl)propan-1-one
PubChem CID70597637
Molecular FormulaC18H14FN3OS
Molecular Weight339.40 g/mol
Exact Mass339.08
IUPAC Name1-(3-fluorophenothiazin-10-yl)-3-(1H-imidazol-2-yl)propan-1-one
SMILESO=C(CCc1ncc[nH]1)N1c2ccccc2Sc2cc(F)ccc21
InChIInChI=1S/C18H14FN3OS/c19-12-5-6-14-16(11-12)24-15-4-2-1-3-13(15)22(14)18(23)8-7-17-20-9-10-21-17/h1-6,9-11H,7-8H2,(H,20,21)
InChIKeyGVADCXBVMPASPC-UHFFFAOYSA-N
XLogP4.31
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenothiazin-10-yl)-3-(1H-imidazol-2-yl)propan-1-one?
The IUPAC name of 1-(3-fluorophenothiazin-10-yl)-3-(1H-imidazol-2-yl)propan-1-one (CID 70597637) is 1-(3-fluorophenothiazin-10-yl)-3-(1H-imidazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(3-fluorophenothiazin-10-yl)-3-(1H-imidazol-2-yl)propan-1-one?
The canonical SMILES for 1-(3-fluorophenothiazin-10-yl)-3-(1H-imidazol-2-yl)propan-1-one is O=C(CCc1ncc[nH]1)N1c2ccccc2Sc2cc(F)ccc21.
What is the InChIKey of 1-(3-fluorophenothiazin-10-yl)-3-(1H-imidazol-2-yl)propan-1-one?
The InChIKey is GVADCXBVMPASPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3OS/c19-12-5-6-14-16(11-12)24-15-4-2-1-3-13(15)22(14)18(23)8-7-17-20-9-10-21-17/h1-6,9-11H,7-8H2,(H,20,21).
What are the key properties of 1-(3-fluorophenothiazin-10-yl)-3-(1H-imidazol-2-yl)propan-1-one?
1-(3-fluorophenothiazin-10-yl)-3-(1H-imidazol-2-yl)propan-1-one has a molecular weight of 339.40 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenothiazin-10-yl)-3-(1H-imidazol-2-yl)propan-1-one is sourced from PubChem (CID 70597637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).