(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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Related Compounds

(6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine
CID 43149529
(S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine
CID 171199401
3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol
CID 107837480
(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine
CID 93054120
2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride
CID 171220205
(S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171200089
1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine
CID 102696309
(1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 83859186
1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine
CID 102696482
(6-methoxy-1,3-benzoxazol-2-yl)methanol
CID 130837155
2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine
CID 117240220
[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115285007

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).