1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)ethanamine

C14H13FN2OS — CID 105169133

IUPAC1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCc1c(C(N)Cc2nccs2)oc2ccc(F)cc12
InChIInChI=1S/C14H13FN2OS/c1-8-10-6-9(15)2-3-12(10)18-14(8)11(16)7-13-17-4-5-19-13/h2-6,11H,7,16H2,1H3
InChIKeyKCKNKPUDNVWFSZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.58
Rot. Bonds3

About 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)ethanamine

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 105169133) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID105169133
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCc1c(C(N)Cc2nccs2)oc2ccc(F)cc12
InChIInChI=1S/C14H13FN2OS/c1-8-10-6-9(15)2-3-12(10)18-14(8)11(16)7-13-17-4-5-19-13/h2-6,11H,7,16H2,1H3
InChIKeyKCKNKPUDNVWFSZ-UHFFFAOYSA-N
XLogP3.58
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)ethanamine (CID 105169133) is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)ethanamine is Cc1c(C(N)Cc2nccs2)oc2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is KCKNKPUDNVWFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c1-8-10-6-9(15)2-3-12(10)18-14(8)11(16)7-13-17-4-5-19-13/h2-6,11H,7,16H2,1H3.
What are the key properties of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)ethanamine?
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 276.34 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105169133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).