(2-amino-4,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone

C16H19NOS — CID 11011169

IUPAC(2-amino-4,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2c(N)sc(C)c2C)c(C)c1
InChIInChI=1S/C16H19NOS/c1-8-6-9(2)13(10(3)7-8)15(18)14-11(4)12(5)19-16(14)17/h6-7H,17H2,1-5H3
InChIKeyYRKXIAKWVDBKBQ-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.10
Rot. Bonds2

About (2-amino-4,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone

(2-amino-4,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 11011169) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is (2-amino-4,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-4,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone
PubChem CID11011169
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name(2-amino-4,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2c(N)sc(C)c2C)c(C)c1
InChIInChI=1S/C16H19NOS/c1-8-6-9(2)13(10(3)7-8)15(18)14-11(4)12(5)19-16(14)17/h6-7H,17H2,1-5H3
InChIKeyYRKXIAKWVDBKBQ-UHFFFAOYSA-N
XLogP4.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-amino-4,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 43339486
(2-amino-4,5-dimethylthiophen-3-yl)-(2-chlorophenyl)methanone
CID 859637
tert-butyl 2-amino-4,5-dimethylthiophene-3-carboxylate
CID 10680818
1-[3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)phenyl]ethanone
CID 18717540
(5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 43462600
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
(2,6-dichlorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337573
1-(2-amino-4,5-dimethylthiophen-3-yl)-2-cyclopropylethanone
CID 126673235
(2,3,6-trichlorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 172843385
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
(5-ethylthiophen-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 43338856
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336

Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (2-amino-4,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone (CID 11011169) is (2-amino-4,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (2-amino-4,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (2-amino-4,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2c(N)sc(C)c2C)c(C)c1.
What is the InChIKey of (2-amino-4,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is YRKXIAKWVDBKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-8-6-9(2)13(10(3)7-8)15(18)14-11(4)12(5)19-16(14)17/h6-7H,17H2,1-5H3.
What are the key properties of (2-amino-4,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone?
(2-amino-4,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 273.40 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 11011169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).