(6-methoxy-1,3-benzoxazol-2-yl)-thiophen-2-ylmethanamine

C13H12N2O2S — CID 102696285

IUPAC(6-methoxy-1,3-benzoxazol-2-yl)-thiophen-2-ylmethanamine
SMILESCOc1ccc2nc(C(N)c3cccs3)oc2c1
InChIInChI=1S/C13H12N2O2S/c1-16-8-4-5-9-10(7-8)17-13(15-9)12(14)11-3-2-6-18-11/h2-7,12H,14H2,1H3
InChIKeyIDCSERZONXUDEZ-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.95
Rot. Bonds3

About (6-methoxy-1,3-benzoxazol-2-yl)-thiophen-2-ylmethanamine

(6-methoxy-1,3-benzoxazol-2-yl)-thiophen-2-ylmethanamine (PubChem CID 102696285) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is (6-methoxy-1,3-benzoxazol-2-yl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(6-methoxy-1,3-benzoxazol-2-yl)-thiophen-2-ylmethanamine
PubChem CID102696285
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name(6-methoxy-1,3-benzoxazol-2-yl)-thiophen-2-ylmethanamine
SMILESCOc1ccc2nc(C(N)c3cccs3)oc2c1
InChIInChI=1S/C13H12N2O2S/c1-16-8-4-5-9-10(7-8)17-13(15-9)12(14)11-3-2-6-18-11/h2-7,12H,14H2,1H3
InChIKeyIDCSERZONXUDEZ-UHFFFAOYSA-N
XLogP2.95
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1,3-benzoxazol-2-yl)-thiophen-2-ylmethanamine?
The IUPAC name of (6-methoxy-1,3-benzoxazol-2-yl)-thiophen-2-ylmethanamine (CID 102696285) is (6-methoxy-1,3-benzoxazol-2-yl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (6-methoxy-1,3-benzoxazol-2-yl)-thiophen-2-ylmethanamine?
The canonical SMILES for (6-methoxy-1,3-benzoxazol-2-yl)-thiophen-2-ylmethanamine is COc1ccc2nc(C(N)c3cccs3)oc2c1.
What is the InChIKey of (6-methoxy-1,3-benzoxazol-2-yl)-thiophen-2-ylmethanamine?
The InChIKey is IDCSERZONXUDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-16-8-4-5-9-10(7-8)17-13(15-9)12(14)11-3-2-6-18-11/h2-7,12H,14H2,1H3.
What are the key properties of (6-methoxy-1,3-benzoxazol-2-yl)-thiophen-2-ylmethanamine?
(6-methoxy-1,3-benzoxazol-2-yl)-thiophen-2-ylmethanamine has a molecular weight of 260.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1,3-benzoxazol-2-yl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 102696285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).