1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine

C16H12FNOS2 — CID 105046125

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCNC(c1cc2cc(F)ccc2o1)c1cc2sccc2s1
InChIInChI=1S/C16H12FNOS2/c1-18-16(15-8-14-13(21-15)4-5-20-14)12-7-9-6-10(17)2-3-11(9)19-12/h2-8,16,18H,1H3
InChIKeySCHZEWMEHNXJLW-UHFFFAOYSA-N
MW317.41 g/mol
LogP5.16
Rot. Bonds3

About 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine

1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine (PubChem CID 105046125) has the molecular formula C16H12FNOS2 and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
PubChem CID105046125
Molecular FormulaC16H12FNOS2
Molecular Weight317.41 g/mol
Exact Mass317.03
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCNC(c1cc2cc(F)ccc2o1)c1cc2sccc2s1
InChIInChI=1S/C16H12FNOS2/c1-18-16(15-8-14-13(21-15)4-5-20-14)12-7-9-6-10(17)2-3-11(9)19-12/h2-8,16,18H,1H3
InChIKeySCHZEWMEHNXJLW-UHFFFAOYSA-N
XLogP5.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.41
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromothiophen-2-yl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 114728766
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 105046222
1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114730411
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114727953
[(4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
CID 105284164
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 114727892
1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80746048
1-(2,3-dimethylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105045995
1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 105166566
1-(2-chloro-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105046105
N-methyl-1-thieno[3,2-b]thiophen-5-yl-1-(2,4,6-trimethylphenyl)methanamine
CID 80733378
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745440

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine (CID 105046125) is 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine is CNC(c1cc2cc(F)ccc2o1)c1cc2sccc2s1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine?
The InChIKey is SCHZEWMEHNXJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNOS2/c1-18-16(15-8-14-13(21-15)4-5-20-14)12-7-9-6-10(17)2-3-11(9)19-12/h2-8,16,18H,1H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine?
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine has a molecular weight of 317.41 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine is sourced from PubChem (CID 105046125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).