4-amino-N-(2,5-dibromophenyl)-5-methylthiophene-2-carboxamide

C12H10Br2N2OS — CID 54955521

IUPAC4-amino-N-(2,5-dibromophenyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cc(Br)ccc2Br)cc1N
InChIInChI=1S/C12H10Br2N2OS/c1-6-9(15)5-11(18-6)12(17)16-10-4-7(13)2-3-8(10)14/h2-5H,15H2,1H3,(H,16,17)
InChIKeyQYNKQNKKMBNQGU-UHFFFAOYSA-N
MW390.10 g/mol
LogP4.42
Rot. Bonds2

About 4-amino-N-(2,5-dibromophenyl)-5-methylthiophene-2-carboxamide

4-amino-N-(2,5-dibromophenyl)-5-methylthiophene-2-carboxamide (PubChem CID 54955521) has the molecular formula C12H10Br2N2OS and a molecular weight of 390.10 g/mol. Its IUPAC name is 4-amino-N-(2,5-dibromophenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,5-dibromophenyl)-5-methylthiophene-2-carboxamide
PubChem CID54955521
Molecular FormulaC12H10Br2N2OS
Molecular Weight390.10 g/mol
Exact Mass387.89
IUPAC Name4-amino-N-(2,5-dibromophenyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cc(Br)ccc2Br)cc1N
InChIInChI=1S/C12H10Br2N2OS/c1-6-9(15)5-11(18-6)12(17)16-10-4-7(13)2-3-8(10)14/h2-5H,15H2,1H3,(H,16,17)
InChIKeyQYNKQNKKMBNQGU-UHFFFAOYSA-N
XLogP4.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.10
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 63333055
4-amino-N-(4-chloro-2-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61093919
N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62998518
2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide
CID 82757217
N-(4-bromo-2-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 86983600
4-amino-5-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 61089790
N-(5-bromo-2-cyanophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 104880459
4-amino-5-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 66478729
5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 103296247
4-bromo-3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]benzoic acid
CID 107812502
N-(2,5-dibromophenyl)-2-methylbenzamide
CID 47167937
4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116663693

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-dibromophenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-(2,5-dibromophenyl)-5-methylthiophene-2-carboxamide (CID 54955521) is 4-amino-N-(2,5-dibromophenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2,5-dibromophenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-(2,5-dibromophenyl)-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)Nc2cc(Br)ccc2Br)cc1N.
What is the InChIKey of 4-amino-N-(2,5-dibromophenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is QYNKQNKKMBNQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2OS/c1-6-9(15)5-11(18-6)12(17)16-10-4-7(13)2-3-8(10)14/h2-5H,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-(2,5-dibromophenyl)-5-methylthiophene-2-carboxamide?
4-amino-N-(2,5-dibromophenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 390.10 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,5-dibromophenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 54955521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).