4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

C11H8Br2N2OS — CID 47099600

IUPAC4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H8Br2N2OS/c12-8-5-9(17-10(8)13)11(16)15-6-7-1-3-14-4-2-7/h1-5H,6H2,(H,15,16)
InChIKeyXOMYPLJLNSGDOX-UHFFFAOYSA-N
MW376.07 g/mol
LogP3.60
Rot. Bonds3

About 4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 47099600) has the molecular formula C11H8Br2N2OS and a molecular weight of 376.07 g/mol. Its IUPAC name is 4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
PubChem CID47099600
Molecular FormulaC11H8Br2N2OS
Molecular Weight376.07 g/mol
Exact Mass373.87
IUPAC Name4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H8Br2N2OS/c12-8-5-9(17-10(8)13)11(16)15-6-7-1-3-14-4-2-7/h1-5H,6H2,(H,15,16)
InChIKeyXOMYPLJLNSGDOX-UHFFFAOYSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.07
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-[(4-bromophenyl)methyl]thiophene-2-carboxamide
CID 80536714
4,5-dibromo-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 112725586
4,5-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55205613
4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide
CID 32636145
4,5-dibromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
CID 24516970
4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide
CID 80948919
4,5-dibromo-N-[(3-carbamothioylphenyl)methyl]thiophene-2-carboxamide
CID 80536329
N-[(3-amino-4-methoxyphenyl)methyl]-4,5-dibromothiophene-2-carboxamide
CID 80536756
N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide
CID 80537023
5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 43424452
4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 19205118
N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide
CID 60668533

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (CID 47099600) is 4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is O=C(NCc1ccncc1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is XOMYPLJLNSGDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2OS/c12-8-5-9(17-10(8)13)11(16)15-6-7-1-3-14-4-2-7/h1-5H,6H2,(H,15,16).
What are the key properties of 4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 376.07 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 47099600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).