1-[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine

C14H14N2OS — CID 61282279

IUPAC1-[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2cc3ccccc3o2)sc1C(C)N
InChIInChI=1S/C14H14N2OS/c1-8(15)13-9(2)16-14(18-13)12-7-10-5-3-4-6-11(10)17-12/h3-8H,15H2,1-2H3
InChIKeyHOFFETJQPIURMD-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.88
Rot. Bonds2

About 1-[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine

1-[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 61282279) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID61282279
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name1-[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2cc3ccccc3o2)sc1C(C)N
InChIInChI=1S/C14H14N2OS/c1-8(15)13-9(2)16-14(18-13)12-7-10-5-3-4-6-11(10)17-12/h3-8H,15H2,1-2H3
InChIKeyHOFFETJQPIURMD-UHFFFAOYSA-N
XLogP3.88
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 61282279) is 1-[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine is Cc1nc(-c2cc3ccccc3o2)sc1C(C)N.
What is the InChIKey of 1-[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is HOFFETJQPIURMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-8(15)13-9(2)16-14(18-13)12-7-10-5-3-4-6-11(10)17-12/h3-8H,15H2,1-2H3.
What are the key properties of 1-[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
1-[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 258.35 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 61282279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).