N-(3,5-dibromopyrazin-2-yl)-4,5-dimethylthiophene-2-carboxamide

C11H9Br2N3OS — CID 113255867

IUPACN-(3,5-dibromopyrazin-2-yl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(Br)nc2Br)sc1C
InChIInChI=1S/C11H9Br2N3OS/c1-5-3-7(18-6(5)2)11(17)16-10-9(13)15-8(12)4-14-10/h3-4H,1-2H3,(H,14,16,17)
InChIKeyYUGASQCLDNJZMQ-UHFFFAOYSA-N
MW391.09 g/mol
LogP3.93
Rot. Bonds2

About N-(3,5-dibromopyrazin-2-yl)-4,5-dimethylthiophene-2-carboxamide

N-(3,5-dibromopyrazin-2-yl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 113255867) has the molecular formula C11H9Br2N3OS and a molecular weight of 391.09 g/mol. Its IUPAC name is N-(3,5-dibromopyrazin-2-yl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dibromopyrazin-2-yl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID113255867
Molecular FormulaC11H9Br2N3OS
Molecular Weight391.09 g/mol
Exact Mass388.88
IUPAC NameN-(3,5-dibromopyrazin-2-yl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(Br)nc2Br)sc1C
InChIInChI=1S/C11H9Br2N3OS/c1-5-3-7(18-6(5)2)11(17)16-10-9(13)15-8(12)4-14-10/h3-4H,1-2H3,(H,14,16,17)
InChIKeyYUGASQCLDNJZMQ-UHFFFAOYSA-N
XLogP3.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.09
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3,5-dibromopyrazin-2-yl)thiophene-2-carboxamide
CID 103756307
2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 63653051
4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide
CID 113255851
N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31504674
3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide
CID 114074325
N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65237624
N-(3,5-dibromopyrazin-2-yl)-2,3-dihydroxybenzamide
CID 136996675
N-(4-bromo-2-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 86983600
N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide
CID 103756329
4-amino-N-(3,5-dibromopyrazin-2-yl)-4-methylpentanamide
CID 114074171
N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62998518
3-bromo-N-(3,5-dibromopyrazin-2-yl)-2-fluorobenzamide
CID 114074315

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromopyrazin-2-yl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(3,5-dibromopyrazin-2-yl)-4,5-dimethylthiophene-2-carboxamide (CID 113255867) is N-(3,5-dibromopyrazin-2-yl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(3,5-dibromopyrazin-2-yl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(3,5-dibromopyrazin-2-yl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2ncc(Br)nc2Br)sc1C.
What is the InChIKey of N-(3,5-dibromopyrazin-2-yl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is YUGASQCLDNJZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3OS/c1-5-3-7(18-6(5)2)11(17)16-10-9(13)15-8(12)4-14-10/h3-4H,1-2H3,(H,14,16,17).
What are the key properties of N-(3,5-dibromopyrazin-2-yl)-4,5-dimethylthiophene-2-carboxamide?
N-(3,5-dibromopyrazin-2-yl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 391.09 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromopyrazin-2-yl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 113255867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).