N-cyano-6-fluoro-1-benzothiophene-2-carboxamide

C10H5FN2OS — CID 81104871

IUPACN-cyano-6-fluoro-1-benzothiophene-2-carboxamide
SMILESN#CNC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C10H5FN2OS/c11-7-2-1-6-3-9(10(14)13-5-12)15-8(6)4-7/h1-4H,(H,13,14)
InChIKeyDQSFTTIRKIEOOI-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.25
Rot. Bonds1

About N-cyano-6-fluoro-1-benzothiophene-2-carboxamide

N-cyano-6-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 81104871) has the molecular formula C10H5FN2OS and a molecular weight of 220.23 g/mol. Its IUPAC name is N-cyano-6-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyano-6-fluoro-1-benzothiophene-2-carboxamide
PubChem CID81104871
Molecular FormulaC10H5FN2OS
Molecular Weight220.23 g/mol
Exact Mass220.01
IUPAC NameN-cyano-6-fluoro-1-benzothiophene-2-carboxamide
SMILESN#CNC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C10H5FN2OS/c11-7-2-1-6-3-9(10(14)13-5-12)15-8(6)4-7/h1-4H,(H,13,14)
InChIKeyDQSFTTIRKIEOOI-UHFFFAOYSA-N
XLogP2.25
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81105328
1-(6-fluoro-1-benzothiophen-2-yl)prop-2-yn-1-one
CID 114978567
6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 29205600
N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81115919
N-(2-amino-2-sulfanylideneethyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104448
N-(cyanomethyl)-6-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 78915934
6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide
CID 81104873
6-fluoro-N-(3-iodopropyl)-1-benzothiophene-2-carboxamide
CID 114503955
6-fluoro-N-[2-(propan-2-ylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 81105182
N-(2,3-dihydroxypropyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104594
6-fluoro-N-[(2-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 115735462
N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 78910861

Frequently Asked Questions

What is the IUPAC name of N-cyano-6-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-cyano-6-fluoro-1-benzothiophene-2-carboxamide (CID 81104871) is N-cyano-6-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-cyano-6-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-cyano-6-fluoro-1-benzothiophene-2-carboxamide is N#CNC(=O)c1cc2ccc(F)cc2s1.
What is the InChIKey of N-cyano-6-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is DQSFTTIRKIEOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FN2OS/c11-7-2-1-6-3-9(10(14)13-5-12)15-8(6)4-7/h1-4H,(H,13,14).
What are the key properties of N-cyano-6-fluoro-1-benzothiophene-2-carboxamide?
N-cyano-6-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-6-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 81104871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).