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

C12H11NOS — CID 859626

IUPAC(2-aminothiophen-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccsc2N)cc1
InChIInChI=1S/C12H11NOS/c1-8-2-4-9(5-3-8)11(14)10-6-7-15-12(10)13/h2-7H,13H2,1H3
InChIKeyUWIVAEMDLQKOIY-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.87
Rot. Bonds2

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

(2-aminothiophen-3-yl)-(4-methylphenyl)methanone (PubChem CID 859626) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is (2-aminothiophen-3-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-aminothiophen-3-yl)-(4-methylphenyl)methanone
PubChem CID859626
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name(2-aminothiophen-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccsc2N)cc1
InChIInChI=1S/C12H11NOS/c1-8-2-4-9(5-3-8)11(14)10-6-7-15-12(10)13/h2-7H,13H2,1H3
InChIKeyUWIVAEMDLQKOIY-UHFFFAOYSA-N
XLogP2.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-aminothiophen-3-yl)-(4-methylphenyl)methanone?
The IUPAC name of (2-aminothiophen-3-yl)-(4-methylphenyl)methanone (CID 859626) is (2-aminothiophen-3-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (2-aminothiophen-3-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (2-aminothiophen-3-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccsc2N)cc1.
What is the InChIKey of (2-aminothiophen-3-yl)-(4-methylphenyl)methanone?
The InChIKey is UWIVAEMDLQKOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-8-2-4-9(5-3-8)11(14)10-6-7-15-12(10)13/h2-7H,13H2,1H3.
What are the key properties of (2-aminothiophen-3-yl)-(4-methylphenyl)methanone?
(2-aminothiophen-3-yl)-(4-methylphenyl)methanone has a molecular weight of 217.29 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminothiophen-3-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 859626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).