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

C12H10BrNOS — CID 107966500

IUPAC(4-amino-2-methylphenyl)-(5-bromothiophen-3-yl)methanone
SMILESCc1cc(N)ccc1C(=O)c1csc(Br)c1
InChIInChI=1S/C12H10BrNOS/c1-7-4-9(14)2-3-10(7)12(15)8-5-11(13)16-6-8/h2-6H,14H2,1H3
InChIKeyQAUSPLCXVDITRB-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.63
Rot. Bonds2

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

(4-amino-2-methylphenyl)-(5-bromothiophen-3-yl)methanone (PubChem CID 107966500) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is (4-amino-2-methylphenyl)-(5-bromothiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-methylphenyl)-(5-bromothiophen-3-yl)methanone
PubChem CID107966500
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC Name(4-amino-2-methylphenyl)-(5-bromothiophen-3-yl)methanone
SMILESCc1cc(N)ccc1C(=O)c1csc(Br)c1
InChIInChI=1S/C12H10BrNOS/c1-7-4-9(14)2-3-10(7)12(15)8-5-11(13)16-6-8/h2-6H,14H2,1H3
InChIKeyQAUSPLCXVDITRB-UHFFFAOYSA-N
XLogP3.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-bromothiophen-3-yl)-(2-methylphenyl)methanone
CID 105080186
(5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone
CID 105105721
(4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone
CID 107981120
(5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 107960064
(4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone
CID 163468215
(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone
CID 107959962
4-amino-2-[(5-bromothiophene-3-carbonyl)amino]benzoic acid
CID 107959455
(5-bromothiophen-3-yl)-(2-chlorophenyl)methanone
CID 105081417
(5-bromothiophen-3-yl)-(4-ethylphenyl)methanone
CID 105085904
(5-bromothiophen-3-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971886
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 114020924
N-[(4-aminophenyl)methyl]-5-bromo-N-propan-2-ylthiophene-3-carboxamide
CID 107959329

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylphenyl)-(5-bromothiophen-3-yl)methanone?
The IUPAC name of (4-amino-2-methylphenyl)-(5-bromothiophen-3-yl)methanone (CID 107966500) is (4-amino-2-methylphenyl)-(5-bromothiophen-3-yl)methanone.
What is the SMILES notation for (4-amino-2-methylphenyl)-(5-bromothiophen-3-yl)methanone?
The canonical SMILES for (4-amino-2-methylphenyl)-(5-bromothiophen-3-yl)methanone is Cc1cc(N)ccc1C(=O)c1csc(Br)c1.
What is the InChIKey of (4-amino-2-methylphenyl)-(5-bromothiophen-3-yl)methanone?
The InChIKey is QAUSPLCXVDITRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c1-7-4-9(14)2-3-10(7)12(15)8-5-11(13)16-6-8/h2-6H,14H2,1H3.
What are the key properties of (4-amino-2-methylphenyl)-(5-bromothiophen-3-yl)methanone?
(4-amino-2-methylphenyl)-(5-bromothiophen-3-yl)methanone has a molecular weight of 296.19 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylphenyl)-(5-bromothiophen-3-yl)methanone is sourced from PubChem (CID 107966500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).