1-N-(1-benzothiophen-5-yl)-2-fluoro-5-methoxybenzene-1,4-diamine

C15H13FN2OS — CID 107259351

IUPAC1-N-(1-benzothiophen-5-yl)-2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCOc1cc(Nc2ccc3sccc3c2)c(F)cc1N
InChIInChI=1S/C15H13FN2OS/c1-19-14-8-13(11(16)7-12(14)17)18-10-2-3-15-9(6-10)4-5-20-15/h2-8,18H,17H2,1H3
InChIKeyWCFQOCGIQJWAJR-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.37
Rot. Bonds3

About 1-N-(1-benzothiophen-5-yl)-2-fluoro-5-methoxybenzene-1,4-diamine

1-N-(1-benzothiophen-5-yl)-2-fluoro-5-methoxybenzene-1,4-diamine (PubChem CID 107259351) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-N-(1-benzothiophen-5-yl)-2-fluoro-5-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(1-benzothiophen-5-yl)-2-fluoro-5-methoxybenzene-1,4-diamine
PubChem CID107259351
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC Name1-N-(1-benzothiophen-5-yl)-2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCOc1cc(Nc2ccc3sccc3c2)c(F)cc1N
InChIInChI=1S/C15H13FN2OS/c1-19-14-8-13(11(16)7-12(14)17)18-10-2-3-15-9(6-10)4-5-20-15/h2-8,18H,17H2,1H3
InChIKeyWCFQOCGIQJWAJR-UHFFFAOYSA-N
XLogP4.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-methoxy-1-N-(4-methoxy-3-methylphenyl)benzene-1,4-diamine
CID 107258978
1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258678
2-N-(1-benzothiophen-5-yl)benzene-1,2-diamine
CID 65475625
1-N-(1-benzothiophen-5-yl)-4-chlorobenzene-1,2-diamine
CID 65476209
2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine
CID 65475431
1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258702
1-N-(3,4-difluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63598167
2-amino-6-(1-benzothiophen-5-ylamino)-3-fluorobenzoic acid
CID 83206087
2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine
CID 107643379
methyl 2-amino-3-(1-benzothiophen-5-ylamino)benzoate
CID 115546387
2-amino-N-(1-benzothiophen-5-yl)-6-methoxybenzamide
CID 81395610
4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine
CID 55233142

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-benzothiophen-5-yl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The IUPAC name of 1-N-(1-benzothiophen-5-yl)-2-fluoro-5-methoxybenzene-1,4-diamine (CID 107259351) is 1-N-(1-benzothiophen-5-yl)-2-fluoro-5-methoxybenzene-1,4-diamine.
What is the SMILES notation for 1-N-(1-benzothiophen-5-yl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The canonical SMILES for 1-N-(1-benzothiophen-5-yl)-2-fluoro-5-methoxybenzene-1,4-diamine is COc1cc(Nc2ccc3sccc3c2)c(F)cc1N.
What is the InChIKey of 1-N-(1-benzothiophen-5-yl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The InChIKey is WCFQOCGIQJWAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c1-19-14-8-13(11(16)7-12(14)17)18-10-2-3-15-9(6-10)4-5-20-15/h2-8,18H,17H2,1H3.
What are the key properties of 1-N-(1-benzothiophen-5-yl)-2-fluoro-5-methoxybenzene-1,4-diamine?
1-N-(1-benzothiophen-5-yl)-2-fluoro-5-methoxybenzene-1,4-diamine has a molecular weight of 288.35 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-benzothiophen-5-yl)-2-fluoro-5-methoxybenzene-1,4-diamine is sourced from PubChem (CID 107259351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).