1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine

C13H11FN2OS — CID 114730243

IUPAC1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
SMILESCNC(c1cscn1)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H11FN2OS/c1-15-12(10-6-18-7-16-10)11-5-8-3-2-4-9(14)13(8)17-11/h2-7,12,15H,1H3
InChIKeySZRVSYTUIZYZKV-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.34
Rot. Bonds3

About 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine

1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine (PubChem CID 114730243) has the molecular formula C13H11FN2OS and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
PubChem CID114730243
Molecular FormulaC13H11FN2OS
Molecular Weight262.31 g/mol
Exact Mass262.06
IUPAC Name1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
SMILESCNC(c1cscn1)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H11FN2OS/c1-15-12(10-6-18-7-16-10)11-5-8-3-2-4-9(14)13(8)17-11/h2-7,12,15H,1H3
InChIKeySZRVSYTUIZYZKV-UHFFFAOYSA-N
XLogP3.34
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine (CID 114730243) is 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine is CNC(c1cscn1)c1cc2cccc(F)c2o1.
What is the InChIKey of 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
The InChIKey is SZRVSYTUIZYZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2OS/c1-15-12(10-6-18-7-16-10)11-5-8-3-2-4-9(14)13(8)17-11/h2-7,12,15H,1H3.
What are the key properties of 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine?
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine has a molecular weight of 262.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 114730243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).