(4-amino-2-methylphenyl)-(3-ethylthiophen-2-yl)methanone

C14H15NOS — CID 79975202

IUPAC(4-amino-2-methylphenyl)-(3-ethylthiophen-2-yl)methanone
SMILESCCc1ccsc1C(=O)c1ccc(N)cc1C
InChIInChI=1S/C14H15NOS/c1-3-10-6-7-17-14(10)13(16)12-5-4-11(15)8-9(12)2/h4-8H,3,15H2,1-2H3
InChIKeyQWKRGCIMDFLPIN-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.43
Rot. Bonds3

About (4-amino-2-methylphenyl)-(3-ethylthiophen-2-yl)methanone

(4-amino-2-methylphenyl)-(3-ethylthiophen-2-yl)methanone (PubChem CID 79975202) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is (4-amino-2-methylphenyl)-(3-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-methylphenyl)-(3-ethylthiophen-2-yl)methanone
PubChem CID79975202
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name(4-amino-2-methylphenyl)-(3-ethylthiophen-2-yl)methanone
SMILESCCc1ccsc1C(=O)c1ccc(N)cc1C
InChIInChI=1S/C14H15NOS/c1-3-10-6-7-17-14(10)13(16)12-5-4-11(15)8-9(12)2/h4-8H,3,15H2,1-2H3
InChIKeyQWKRGCIMDFLPIN-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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylphenyl)-(3-ethylthiophen-2-yl)methanone?
The IUPAC name of (4-amino-2-methylphenyl)-(3-ethylthiophen-2-yl)methanone (CID 79975202) is (4-amino-2-methylphenyl)-(3-ethylthiophen-2-yl)methanone.
What is the SMILES notation for (4-amino-2-methylphenyl)-(3-ethylthiophen-2-yl)methanone?
The canonical SMILES for (4-amino-2-methylphenyl)-(3-ethylthiophen-2-yl)methanone is CCc1ccsc1C(=O)c1ccc(N)cc1C.
What is the InChIKey of (4-amino-2-methylphenyl)-(3-ethylthiophen-2-yl)methanone?
The InChIKey is QWKRGCIMDFLPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-3-10-6-7-17-14(10)13(16)12-5-4-11(15)8-9(12)2/h4-8H,3,15H2,1-2H3.
What are the key properties of (4-amino-2-methylphenyl)-(3-ethylthiophen-2-yl)methanone?
(4-amino-2-methylphenyl)-(3-ethylthiophen-2-yl)methanone 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 (4-amino-2-methylphenyl)-(3-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 79975202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).