(2-amino-4-ethyl-5-methylthiophen-3-yl)-phenylmethanone

C14H15NOS — CID 20605818

IUPAC(2-amino-4-ethyl-5-methylthiophen-3-yl)-phenylmethanone
SMILESCCc1c(C)sc(N)c1C(=O)c1ccccc1
InChIInChI=1S/C14H15NOS/c1-3-11-9(2)17-14(15)12(11)13(16)10-7-5-4-6-8-10/h4-8H,3,15H2,1-2H3
InChIKeyYFAASNLWVXUPGR-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.43
Rot. Bonds3

About (2-amino-4-ethyl-5-methylthiophen-3-yl)-phenylmethanone

(2-amino-4-ethyl-5-methylthiophen-3-yl)-phenylmethanone (PubChem CID 20605818) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is (2-amino-4-ethyl-5-methylthiophen-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-4-ethyl-5-methylthiophen-3-yl)-phenylmethanone
PubChem CID20605818
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name(2-amino-4-ethyl-5-methylthiophen-3-yl)-phenylmethanone
SMILESCCc1c(C)sc(N)c1C(=O)c1ccccc1
InChIInChI=1S/C14H15NOS/c1-3-11-9(2)17-14(15)12(11)13(16)10-7-5-4-6-8-10/h4-8H,3,15H2,1-2H3
InChIKeyYFAASNLWVXUPGR-UHFFFAOYSA-N
XLogP3.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-ethyl-5-methylthiophen-3-yl)-phenylmethanone?
The IUPAC name of (2-amino-4-ethyl-5-methylthiophen-3-yl)-phenylmethanone (CID 20605818) is (2-amino-4-ethyl-5-methylthiophen-3-yl)-phenylmethanone.
What is the SMILES notation for (2-amino-4-ethyl-5-methylthiophen-3-yl)-phenylmethanone?
The canonical SMILES for (2-amino-4-ethyl-5-methylthiophen-3-yl)-phenylmethanone is CCc1c(C)sc(N)c1C(=O)c1ccccc1.
What is the InChIKey of (2-amino-4-ethyl-5-methylthiophen-3-yl)-phenylmethanone?
The InChIKey is YFAASNLWVXUPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-3-11-9(2)17-14(15)12(11)13(16)10-7-5-4-6-8-10/h4-8H,3,15H2,1-2H3.
What are the key properties of (2-amino-4-ethyl-5-methylthiophen-3-yl)-phenylmethanone?
(2-amino-4-ethyl-5-methylthiophen-3-yl)-phenylmethanone has a molecular weight of 245.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-ethyl-5-methylthiophen-3-yl)-phenylmethanone is sourced from PubChem (CID 20605818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).