(2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone

C14H15NOS — CID 65455690

IUPAC(2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
SMILESCc1ccc(N)c(C(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C14H15NOS/c1-8-4-5-13(15)12(6-8)14(16)11-7-9(2)17-10(11)3/h4-7H,15H2,1-3H3
InChIKeyVHRXDBDFUBSTHR-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.49
Rot. Bonds2

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

(2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone (PubChem CID 65455690) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is (2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
PubChem CID65455690
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name(2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
SMILESCc1ccc(N)c(C(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C14H15NOS/c1-8-4-5-13(15)12(6-8)14(16)11-7-9(2)17-10(11)3/h4-7H,15H2,1-3H3
InChIKeyVHRXDBDFUBSTHR-UHFFFAOYSA-N
XLogP3.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.49
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-5-methylphenyl)-(4-bromothiophen-3-yl)methanone
CID 116581434
(2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79733206
(2-aminophenyl)-(2-hydroxy-5-methylphenyl)methanone
CID 10680803
(2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone
CID 116581444
(2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 116581480
(3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161427
(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 65453793
(2-amino-5-methylphenyl)-(2,5-diethylphenyl)methanone
CID 65456262
2-(2-aminobenzoyl)-5-methylbenzoic acid
CID 83381345
1-(2-amino-5-methylphenyl)-2-hydroxyethanone
CID 56999541
(2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 43339486
2-(2,5-dimethylthiophen-3-yl)-4-methylaniline
CID 112557850

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The IUPAC name of (2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone (CID 65455690) is (2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone.
What is the SMILES notation for (2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The canonical SMILES for (2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone is Cc1ccc(N)c(C(=O)c2cc(C)sc2C)c1.
What is the InChIKey of (2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The InChIKey is VHRXDBDFUBSTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-8-4-5-13(15)12(6-8)14(16)11-7-9(2)17-10(11)3/h4-7H,15H2,1-3H3.
What are the key properties of (2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone?
(2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone has a molecular weight of 245.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone is sourced from PubChem (CID 65455690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).