2-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-1,3-thiazol-3-ium

C17H13FNOS+ — CID 149392490

IUPAC2-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-1,3-thiazol-3-ium
SMILESCc1ccc2c(oc3cc(F)ccc32)c1-c1scc[n+]1C
InChIInChI=1S/C17H13FNOS/c1-10-3-5-13-12-6-4-11(18)9-14(12)20-16(13)15(10)17-19(2)7-8-21-17/h3-9H,1-2H3/q+1
InChIKeyUOTKNCMVSIIDTF-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.59
Rot. Bonds1

About 2-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-1,3-thiazol-3-ium

2-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-1,3-thiazol-3-ium (PubChem CID 149392490) has the molecular formula C17H13FNOS+ and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-1,3-thiazol-3-ium.

Molecular Properties

Compound Name2-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-1,3-thiazol-3-ium
PubChem CID149392490
Molecular FormulaC17H13FNOS+
Molecular Weight298.36 g/mol
Exact Mass298.07
IUPAC Name2-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-1,3-thiazol-3-ium
SMILESCc1ccc2c(oc3cc(F)ccc32)c1-c1scc[n+]1C
InChIInChI=1S/C17H13FNOS/c1-10-3-5-13-12-6-4-11(18)9-14(12)20-16(13)15(10)17-19(2)7-8-21-17/h3-9H,1-2H3/q+1
InChIKeyUOTKNCMVSIIDTF-UHFFFAOYSA-N
XLogP4.59
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6-[(4-Fluoro-3-methylphenoxy)methyl]-2-methyl-1-[5-methyl-2-(1,3-thiazol-2-yl)benzoyl]azepane
CID 46199307
1-((3-Fluoro-4-(5-(thiazol-2-ylmethyl)benzofuran-2-yl)phenyl)methyl)azetidine-3-carboxylic acid
CID 24850409
Ethyl 1-((3-fluoro-4-(5-(thiazol-2-ylmethyl)benzofuran-2-yl)phenyl)methyl)azetidine-3-carboxylate
CID 58415291
2-(4-fluorophenyl)-N-methyl-5-[3-[3-(1,3-thiazol-2-yl)propanoyl]phenyl]-1-benzofuran-3-carboxamide
CID 58472649
2-[[2-[4-(Azetidin-1-ylmethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methyl]-1,3-thiazole
CID 68748068
1-[1-[3-Fluoro-4-[5-(1,3-thiazol-2-ylmethyl)-1-benzofuran-2-yl]phenyl]propyl]azetidine-3-carboxylic acid
CID 69045262
N-[2-[(4-fluoro-3-methylphenoxy)methyl]butyl]-5-methyl-N-propan-2-yl-2-(1,3-thiazol-2-yl)benzamide
CID 143981240
2-(7-Fluoro-2-methyldibenzofuran-3-yl)-3-methyl-1,3-thiazol-3-ium
CID 148770758
2-(7-Fluoro-3-methyldibenzofuran-2-yl)-3-methyl-1,3-thiazol-3-ium
CID 148986663
2-Fluoro-7-methyl-6-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 153464398
2-Fluoro-7-methyl-8-(3-methyl-1,3-thiazol-3-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 153464688
2-(7-Fluoro-3-methyldibenzofuran-4-yl)-3-methyl-1,3-benzothiazol-3-ium
CID 153464718

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-1,3-thiazol-3-ium?
The IUPAC name of 2-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-1,3-thiazol-3-ium (CID 149392490) is 2-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-1,3-thiazol-3-ium.
What is the SMILES notation for 2-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-1,3-thiazol-3-ium?
The canonical SMILES for 2-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-1,3-thiazol-3-ium is Cc1ccc2c(oc3cc(F)ccc32)c1-c1scc[n+]1C.
What is the InChIKey of 2-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-1,3-thiazol-3-ium?
The InChIKey is UOTKNCMVSIIDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FNOS/c1-10-3-5-13-12-6-4-11(18)9-14(12)20-16(13)15(10)17-19(2)7-8-21-17/h3-9H,1-2H3/q+1.
What are the key properties of 2-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-1,3-thiazol-3-ium?
2-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-1,3-thiazol-3-ium has a molecular weight of 298.36 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-3-methyldibenzofuran-4-yl)-3-methyl-1,3-thiazol-3-ium is sourced from PubChem (CID 149392490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).