1-[5-(phenothiazin-3-ylideneamino)furan-2-yl]ethanone

C18H12N2O2S — CID 161044936

IUPAC1-[5-(phenothiazin-3-ylideneamino)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(N=c2ccc3nc4ccccc4sc-3c2)o1
InChIInChI=1S/C18H12N2O2S/c1-11(21)15-8-9-18(22-15)19-12-6-7-14-17(10-12)23-16-5-3-2-4-13(16)20-14/h2-10H,1H3
InChIKeyDPIOQXQKMTVUTM-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.43
Rot. Bonds2

About 1-[5-(phenothiazin-3-ylideneamino)furan-2-yl]ethanone

1-[5-(phenothiazin-3-ylideneamino)furan-2-yl]ethanone (PubChem CID 161044936) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-[5-(phenothiazin-3-ylideneamino)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(phenothiazin-3-ylideneamino)furan-2-yl]ethanone
PubChem CID161044936
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC Name1-[5-(phenothiazin-3-ylideneamino)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(N=c2ccc3nc4ccccc4sc-3c2)o1
InChIInChI=1S/C18H12N2O2S/c1-11(21)15-8-9-18(22-15)19-12-6-7-14-17(10-12)23-16-5-3-2-4-13(16)20-14/h2-10H,1H3
InChIKeyDPIOQXQKMTVUTM-UHFFFAOYSA-N
XLogP4.43
TPSA55.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-phenylphenothiazin-3-imine
CID 11219951
azane;5-(phenothiazin-3-ylideneamino)benzene-1,3-dicarboxylic acid
CID 173012429
phenothiazin-3-ylideneazanium
CID 88897995
1-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]ethanone
CID 113437421
hexane;phenothiazin-3-one
CID 170982113
acetic acid;(7-aminophenothiazin-3-ylidene)azanium;chloride
CID 87151832
1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone
CID 11821106
5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide
CID 47110700
acetic acid;1,3-benzothiazol-2-amine
CID 172786962
1-(1,3-benzothiazol-2-yl)-3-hydroxybutan-2-one
CID 103451335
2-quinolin-2-ylthieno[3,2-b]pyridine
CID 171365776
1-(1,3-benzothiazol-2-yl)-1-hydroxyiminopropan-2-one
CID 135463874

Frequently Asked Questions

What is the IUPAC name of 1-[5-(phenothiazin-3-ylideneamino)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(phenothiazin-3-ylideneamino)furan-2-yl]ethanone (CID 161044936) is 1-[5-(phenothiazin-3-ylideneamino)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(phenothiazin-3-ylideneamino)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(phenothiazin-3-ylideneamino)furan-2-yl]ethanone is CC(=O)c1ccc(N=c2ccc3nc4ccccc4sc-3c2)o1.
What is the InChIKey of 1-[5-(phenothiazin-3-ylideneamino)furan-2-yl]ethanone?
The InChIKey is DPIOQXQKMTVUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c1-11(21)15-8-9-18(22-15)19-12-6-7-14-17(10-12)23-16-5-3-2-4-13(16)20-14/h2-10H,1H3.
What are the key properties of 1-[5-(phenothiazin-3-ylideneamino)furan-2-yl]ethanone?
1-[5-(phenothiazin-3-ylideneamino)furan-2-yl]ethanone has a molecular weight of 320.37 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(phenothiazin-3-ylideneamino)furan-2-yl]ethanone is sourced from PubChem (CID 161044936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).