(2-aminophenyl)-(3,5-dimethylthiophen-2-yl)methanone

C13H13NOS — CID 13113637

IUPAC(2-aminophenyl)-(3,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C)c(C(=O)c2ccccc2N)s1
InChIInChI=1S/C13H13NOS/c1-8-7-9(2)16-13(8)12(15)10-5-3-4-6-11(10)14/h3-7H,14H2,1-2H3
InChIKeyGYMDFCNFSPUNQD-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.18
Rot. Bonds2

About (2-aminophenyl)-(3,5-dimethylthiophen-2-yl)methanone

(2-aminophenyl)-(3,5-dimethylthiophen-2-yl)methanone (PubChem CID 13113637) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is (2-aminophenyl)-(3,5-dimethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-aminophenyl)-(3,5-dimethylthiophen-2-yl)methanone
PubChem CID13113637
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name(2-aminophenyl)-(3,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C)c(C(=O)c2ccccc2N)s1
InChIInChI=1S/C13H13NOS/c1-8-7-9(2)16-13(8)12(15)10-5-3-4-6-11(10)14/h3-7H,14H2,1-2H3
InChIKeyGYMDFCNFSPUNQD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4,5-difluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81158203
(4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81156986
(2-aminophenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79991172
(2,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81157333
(3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone
CID 81156369
3,5-dimethylthiophene-2-carboxamide;ethane;toluene
CID 142861062
(2-aminophenyl)-(4-bromo-3-methylphenyl)methanone
CID 82073342
(3-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanone
CID 79214857
(2-aminophenyl)-(5-methyl-1H-imidazol-2-yl)methanone
CID 67755647
3,5-dimethylthiophene-2-carboxylic acid
CID 819558
(3,5-dimethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
CID 81155979
(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81155980

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(3,5-dimethylthiophen-2-yl)methanone?
The IUPAC name of (2-aminophenyl)-(3,5-dimethylthiophen-2-yl)methanone (CID 13113637) is (2-aminophenyl)-(3,5-dimethylthiophen-2-yl)methanone.
What is the SMILES notation for (2-aminophenyl)-(3,5-dimethylthiophen-2-yl)methanone?
The canonical SMILES for (2-aminophenyl)-(3,5-dimethylthiophen-2-yl)methanone is Cc1cc(C)c(C(=O)c2ccccc2N)s1.
What is the InChIKey of (2-aminophenyl)-(3,5-dimethylthiophen-2-yl)methanone?
The InChIKey is GYMDFCNFSPUNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-8-7-9(2)16-13(8)12(15)10-5-3-4-6-11(10)14/h3-7H,14H2,1-2H3.
What are the key properties of (2-aminophenyl)-(3,5-dimethylthiophen-2-yl)methanone?
(2-aminophenyl)-(3,5-dimethylthiophen-2-yl)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-aminophenyl)-(3,5-dimethylthiophen-2-yl)methanone is sourced from PubChem (CID 13113637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).