1-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-2-carboxamide

C11H14BrN3O2S — CID 79997413

IUPAC1-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-2-carboxamide
SMILESCc1cc(C(=O)N2CCNCC2C(N)=O)sc1Br
InChIInChI=1S/C11H14BrN3O2S/c1-6-4-8(18-9(6)12)11(17)15-3-2-14-5-7(15)10(13)16/h4,7,14H,2-3,5H2,1H3,(H2,13,16)
InChIKeyVHTDZVFIDJXTRC-UHFFFAOYSA-N
MW332.22 g/mol
LogP0.72
Rot. Bonds2

About 1-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-2-carboxamide

1-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-2-carboxamide (PubChem CID 79997413) has the molecular formula C11H14BrN3O2S and a molecular weight of 332.22 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-2-carboxamide
PubChem CID79997413
Molecular FormulaC11H14BrN3O2S
Molecular Weight332.22 g/mol
Exact Mass331.00
IUPAC Name1-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-2-carboxamide
SMILESCc1cc(C(=O)N2CCNCC2C(N)=O)sc1Br
InChIInChI=1S/C11H14BrN3O2S/c1-6-4-8(18-9(6)12)11(17)15-3-2-14-5-7(15)10(13)16/h4,7,14H,2-3,5H2,1H3,(H2,13,16)
InChIKeyVHTDZVFIDJXTRC-UHFFFAOYSA-N
XLogP0.72
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophene-3-carbonyl)piperazine-2-carboxamide
CID 107963605
(2S)-1-(5-bromo-4-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 79982145
1-(2,5-dichlorothiophene-3-carbonyl)piperazine-2-carboxamide
CID 107963606
tert-butyl (2S)-1-(5-bromo-4-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 80998890
1-(3,4-dihydroxybenzoyl)piperazine-2-carboxamide
CID 107728749
1-(2,5-dibromothiophene-3-carbonyl)-N-methylpiperazine-2-carboxamide
CID 107963609
1-[4-(5-bromo-4-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 79954864
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866666
2-[1-(5-bromo-4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]acetic acid
CID 79981389
1-(1-methylimidazole-4-carbonyl)piperazine-2-carboxamide
CID 107973355
(5-bromo-4-methylthiophen-2-yl)-(3,3-dimethylazetidin-1-yl)methanone
CID 130702895
1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperazine-2-carboxamide
CID 80578005

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-2-carboxamide?
The IUPAC name of 1-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-2-carboxamide (CID 79997413) is 1-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for 1-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-2-carboxamide is Cc1cc(C(=O)N2CCNCC2C(N)=O)sc1Br.
What is the InChIKey of 1-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-2-carboxamide?
The InChIKey is VHTDZVFIDJXTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2S/c1-6-4-8(18-9(6)12)11(17)15-3-2-14-5-7(15)10(13)16/h4,7,14H,2-3,5H2,1H3,(H2,13,16).
What are the key properties of 1-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-2-carboxamide?
1-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-2-carboxamide has a molecular weight of 332.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 79997413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).