(2-amino-5-methylthiophen-3-yl)-(4-methylphenyl)methanone

C13H13NOS — CID 859630

IUPAC(2-amino-5-methylthiophen-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(C)sc2N)cc1
InChIInChI=1S/C13H13NOS/c1-8-3-5-10(6-4-8)12(15)11-7-9(2)16-13(11)14/h3-7H,14H2,1-2H3
InChIKeyILFMZWVQSYJKTL-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.18
Rot. Bonds2

About (2-amino-5-methylthiophen-3-yl)-(4-methylphenyl)methanone

(2-amino-5-methylthiophen-3-yl)-(4-methylphenyl)methanone (PubChem CID 859630) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is (2-amino-5-methylthiophen-3-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-methylthiophen-3-yl)-(4-methylphenyl)methanone
PubChem CID859630
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name(2-amino-5-methylthiophen-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(C)sc2N)cc1
InChIInChI=1S/C13H13NOS/c1-8-3-5-10(6-4-8)12(15)11-7-9(2)16-13(11)14/h3-7H,14H2,1-2H3
InChIKeyILFMZWVQSYJKTL-UHFFFAOYSA-N
XLogP3.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylthiophen-3-yl)-(4-methylphenyl)methanone?
The IUPAC name of (2-amino-5-methylthiophen-3-yl)-(4-methylphenyl)methanone (CID 859630) is (2-amino-5-methylthiophen-3-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (2-amino-5-methylthiophen-3-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (2-amino-5-methylthiophen-3-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cc(C)sc2N)cc1.
What is the InChIKey of (2-amino-5-methylthiophen-3-yl)-(4-methylphenyl)methanone?
The InChIKey is ILFMZWVQSYJKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-8-3-5-10(6-4-8)12(15)11-7-9(2)16-13(11)14/h3-7H,14H2,1-2H3.
What are the key properties of (2-amino-5-methylthiophen-3-yl)-(4-methylphenyl)methanone?
(2-amino-5-methylthiophen-3-yl)-(4-methylphenyl)methanone has a molecular weight of 231.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylthiophen-3-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 859630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).