(2-aminothiophen-3-yl)-(4-methoxyphenyl)methanone

C12H11NO2S — CID 855516

IUPAC(2-aminothiophen-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccsc2N)cc1
InChIInChI=1S/C12H11NO2S/c1-15-9-4-2-8(3-5-9)11(14)10-6-7-16-12(10)13/h2-7H,13H2,1H3
InChIKeyRPZLQCNOOFNYNF-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.57
Rot. Bonds3

About (2-aminothiophen-3-yl)-(4-methoxyphenyl)methanone

(2-aminothiophen-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 855516) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is (2-aminothiophen-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-aminothiophen-3-yl)-(4-methoxyphenyl)methanone
PubChem CID855516
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name(2-aminothiophen-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccsc2N)cc1
InChIInChI=1S/C12H11NO2S/c1-15-9-4-2-8(3-5-9)11(14)10-6-7-16-12(10)13/h2-7H,13H2,1H3
InChIKeyRPZLQCNOOFNYNF-UHFFFAOYSA-N
XLogP2.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-aminothiophen-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (2-aminothiophen-3-yl)-(4-methoxyphenyl)methanone (CID 855516) is (2-aminothiophen-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (2-aminothiophen-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (2-aminothiophen-3-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccsc2N)cc1.
What is the InChIKey of (2-aminothiophen-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is RPZLQCNOOFNYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-15-9-4-2-8(3-5-9)11(14)10-6-7-16-12(10)13/h2-7H,13H2,1H3.
What are the key properties of (2-aminothiophen-3-yl)-(4-methoxyphenyl)methanone?
(2-aminothiophen-3-yl)-(4-methoxyphenyl)methanone has a molecular weight of 233.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminothiophen-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 855516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).