(5-aminothiophen-2-yl)-phenylmethanone

C11H9NOS — CID 15814262

IUPAC(5-aminothiophen-2-yl)-phenylmethanone
SMILESNc1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C11H9NOS/c12-10-7-6-9(14-10)11(13)8-4-2-1-3-5-8/h1-7H,12H2
InChIKeyWZCRHULLOCIESQ-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.56
Rot. Bonds2

About (5-aminothiophen-2-yl)-phenylmethanone

(5-aminothiophen-2-yl)-phenylmethanone (PubChem CID 15814262) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is (5-aminothiophen-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-aminothiophen-2-yl)-phenylmethanone
PubChem CID15814262
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name(5-aminothiophen-2-yl)-phenylmethanone
SMILESNc1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C11H9NOS/c12-10-7-6-9(14-10)11(13)8-4-2-1-3-5-8/h1-7H,12H2
InChIKeyWZCRHULLOCIESQ-UHFFFAOYSA-N
XLogP2.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-aminothiophen-2-yl)-phenylmethanone?
The IUPAC name of (5-aminothiophen-2-yl)-phenylmethanone (CID 15814262) is (5-aminothiophen-2-yl)-phenylmethanone.
What is the SMILES notation for (5-aminothiophen-2-yl)-phenylmethanone?
The canonical SMILES for (5-aminothiophen-2-yl)-phenylmethanone is Nc1ccc(C(=O)c2ccccc2)s1.
What is the InChIKey of (5-aminothiophen-2-yl)-phenylmethanone?
The InChIKey is WZCRHULLOCIESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c12-10-7-6-9(14-10)11(13)8-4-2-1-3-5-8/h1-7H,12H2.
What are the key properties of (5-aminothiophen-2-yl)-phenylmethanone?
(5-aminothiophen-2-yl)-phenylmethanone has a molecular weight of 203.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminothiophen-2-yl)-phenylmethanone is sourced from PubChem (CID 15814262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).