5-bromo-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

C15H16BrN5O2S — CID 55833530

IUPAC5-bromo-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(Br)s1
InChIInChI=1S/C15H16BrN5O2S/c16-12-3-2-11(24-12)14(23)19-10-13(22)20-6-8-21(9-7-20)15-17-4-1-5-18-15/h1-5H,6-10H2,(H,19,23)
InChIKeyCSEIJNGXOSSYML-UHFFFAOYSA-N
MW410.30 g/mol
LogP1.38
Rot. Bonds4

About 5-bromo-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

5-bromo-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 55833530) has the molecular formula C15H16BrN5O2S and a molecular weight of 410.30 g/mol. Its IUPAC name is 5-bromo-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID55833530
Molecular FormulaC15H16BrN5O2S
Molecular Weight410.30 g/mol
Exact Mass409.02
IUPAC Name5-bromo-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(Br)s1
InChIInChI=1S/C15H16BrN5O2S/c16-12-3-2-11(24-12)14(23)19-10-13(22)20-6-8-21(9-7-20)15-17-4-1-5-18-15/h1-5H,6-10H2,(H,19,23)
InChIKeyCSEIJNGXOSSYML-UHFFFAOYSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide
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2-ethyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
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5-bromo-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
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4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
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(5-bromothiophen-2-yl)methyl-methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium
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N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide
CID 112994704
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 22677757
5-methyl-N-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide (CID 55833530) is 5-bromo-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide is O=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is CSEIJNGXOSSYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5O2S/c16-12-3-2-11(24-12)14(23)19-10-13(22)20-6-8-21(9-7-20)15-17-4-1-5-18-15/h1-5H,6-10H2,(H,19,23).
What are the key properties of 5-bromo-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
5-bromo-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 410.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55833530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).