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

C13H12ClNOS — CID 859637

IUPAC(2-amino-4,5-dimethylthiophen-3-yl)-(2-chlorophenyl)methanone
SMILESCc1sc(N)c(C(=O)c2ccccc2Cl)c1C
InChIInChI=1S/C13H12ClNOS/c1-7-8(2)17-13(15)11(7)12(16)9-5-3-4-6-10(9)14/h3-6H,15H2,1-2H3
InChIKeyLERBRJLVKFXYFJ-UHFFFAOYSA-N
MW265.76 g/mol
LogP3.83
Rot. Bonds2

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

(2-amino-4,5-dimethylthiophen-3-yl)-(2-chlorophenyl)methanone (PubChem CID 859637) has the molecular formula C13H12ClNOS and a molecular weight of 265.76 g/mol. Its IUPAC name is (2-amino-4,5-dimethylthiophen-3-yl)-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-4,5-dimethylthiophen-3-yl)-(2-chlorophenyl)methanone
PubChem CID859637
Molecular FormulaC13H12ClNOS
Molecular Weight265.76 g/mol
Exact Mass265.03
IUPAC Name(2-amino-4,5-dimethylthiophen-3-yl)-(2-chlorophenyl)methanone
SMILESCc1sc(N)c(C(=O)c2ccccc2Cl)c1C
InChIInChI=1S/C13H12ClNOS/c1-7-8(2)17-13(15)11(7)12(16)9-5-3-4-6-10(9)14/h3-6H,15H2,1-2H3
InChIKeyLERBRJLVKFXYFJ-UHFFFAOYSA-N
XLogP3.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.76
LogP ≤ 53.83
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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Related Compounds

(2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159787
(2-amino-4,5-dimethylthiophen-3-yl)-(4-tert-butylphenyl)methanone
CID 10266082
3-(2-chlorobenzoyl)-2-methylazulene-1-carboxylic acid
CID 139771641
(2-amino-4,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 11011169
(2-chlorophenyl)-(2-methylthiophen-3-yl)methanone
CID 102830683
[4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone
CID 25138990
(5-aminothiophen-2-yl)-(2-chlorophenyl)methanone
CID 22152229
1-[[4-[3-(2-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]-5-methyl-1,2,4-triazol-3-yl]methyl]-3-(2-chlorophenyl)urea
CID 19085369
ethyl 5-amino-2-(2-chlorobenzoyl)-1,3-thiazole-4-carboxylate
CID 69145203
(5-amino-3-methyl-1-propylpyrazol-4-yl)-(2-chlorophenyl)methanone;hydrobromide
CID 117068317
(2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone
CID 116602267
2-amino-1-(2-chlorophenyl)-2-methylpropan-1-one
CID 82282086

Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-dimethylthiophen-3-yl)-(2-chlorophenyl)methanone?
The IUPAC name of (2-amino-4,5-dimethylthiophen-3-yl)-(2-chlorophenyl)methanone (CID 859637) is (2-amino-4,5-dimethylthiophen-3-yl)-(2-chlorophenyl)methanone.
What is the SMILES notation for (2-amino-4,5-dimethylthiophen-3-yl)-(2-chlorophenyl)methanone?
The canonical SMILES for (2-amino-4,5-dimethylthiophen-3-yl)-(2-chlorophenyl)methanone is Cc1sc(N)c(C(=O)c2ccccc2Cl)c1C.
What is the InChIKey of (2-amino-4,5-dimethylthiophen-3-yl)-(2-chlorophenyl)methanone?
The InChIKey is LERBRJLVKFXYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-7-8(2)17-13(15)11(7)12(16)9-5-3-4-6-10(9)14/h3-6H,15H2,1-2H3.
What are the key properties of (2-amino-4,5-dimethylthiophen-3-yl)-(2-chlorophenyl)methanone?
(2-amino-4,5-dimethylthiophen-3-yl)-(2-chlorophenyl)methanone has a molecular weight of 265.76 g/mol, XLogP of 3.83, 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-chlorophenyl)methanone is sourced from PubChem (CID 859637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).