5-ethyl-3-(4-methyl-1,3-benzoxazol-2-yl)thiophen-2-amine

C14H14N2OS — CID 63615167

IUPAC5-ethyl-3-(4-methyl-1,3-benzoxazol-2-yl)thiophen-2-amine
SMILESCCc1cc(-c2nc3c(C)cccc3o2)c(N)s1
InChIInChI=1S/C14H14N2OS/c1-3-9-7-10(13(15)18-9)14-16-12-8(2)5-4-6-11(12)17-14/h4-7H,3,15H2,1-2H3
InChIKeySSMAUTDKMPUVTM-UHFFFAOYSA-N
MW258.35 g/mol
LogP4.01
Rot. Bonds2

About 5-ethyl-3-(4-methyl-1,3-benzoxazol-2-yl)thiophen-2-amine

5-ethyl-3-(4-methyl-1,3-benzoxazol-2-yl)thiophen-2-amine (PubChem CID 63615167) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 5-ethyl-3-(4-methyl-1,3-benzoxazol-2-yl)thiophen-2-amine.

Molecular Properties

Compound Name5-ethyl-3-(4-methyl-1,3-benzoxazol-2-yl)thiophen-2-amine
PubChem CID63615167
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name5-ethyl-3-(4-methyl-1,3-benzoxazol-2-yl)thiophen-2-amine
SMILESCCc1cc(-c2nc3c(C)cccc3o2)c(N)s1
InChIInChI=1S/C14H14N2OS/c1-3-9-7-10(13(15)18-9)14-16-12-8(2)5-4-6-11(12)17-14/h4-7H,3,15H2,1-2H3
InChIKeySSMAUTDKMPUVTM-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(4-methyl-1,3-benzoxazol-2-yl)thiophen-2-amine?
The IUPAC name of 5-ethyl-3-(4-methyl-1,3-benzoxazol-2-yl)thiophen-2-amine (CID 63615167) is 5-ethyl-3-(4-methyl-1,3-benzoxazol-2-yl)thiophen-2-amine.
What is the SMILES notation for 5-ethyl-3-(4-methyl-1,3-benzoxazol-2-yl)thiophen-2-amine?
The canonical SMILES for 5-ethyl-3-(4-methyl-1,3-benzoxazol-2-yl)thiophen-2-amine is CCc1cc(-c2nc3c(C)cccc3o2)c(N)s1.
What is the InChIKey of 5-ethyl-3-(4-methyl-1,3-benzoxazol-2-yl)thiophen-2-amine?
The InChIKey is SSMAUTDKMPUVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-3-9-7-10(13(15)18-9)14-16-12-8(2)5-4-6-11(12)17-14/h4-7H,3,15H2,1-2H3.
What are the key properties of 5-ethyl-3-(4-methyl-1,3-benzoxazol-2-yl)thiophen-2-amine?
5-ethyl-3-(4-methyl-1,3-benzoxazol-2-yl)thiophen-2-amine has a molecular weight of 258.35 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(4-methyl-1,3-benzoxazol-2-yl)thiophen-2-amine is sourced from PubChem (CID 63615167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).