3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide

C9H8BrN3OS — CID 131043350

IUPAC3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide
SMILESCn1ccnc1NC(=O)c1sccc1Br
InChIInChI=1S/C9H8BrN3OS/c1-13-4-3-11-9(13)12-8(14)7-6(10)2-5-15-7/h2-5H,1H3,(H,11,12,14)
InChIKeyCRVOITHLISJQOY-UHFFFAOYSA-N
MW286.15 g/mol
LogP2.50
Rot. Bonds2

About 3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide

3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide (PubChem CID 131043350) has the molecular formula C9H8BrN3OS and a molecular weight of 286.15 g/mol. Its IUPAC name is 3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide
PubChem CID131043350
Molecular FormulaC9H8BrN3OS
Molecular Weight286.15 g/mol
Exact Mass284.96
IUPAC Name3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide
SMILESCn1ccnc1NC(=O)c1sccc1Br
InChIInChI=1S/C9H8BrN3OS/c1-13-4-3-11-9(13)12-8(14)7-6(10)2-5-15-7/h2-5H,1H3,(H,11,12,14)
InChIKeyCRVOITHLISJQOY-UHFFFAOYSA-N
XLogP2.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-(5-bromothiophen-2-yl)-2-oxoethyl)-1-vinyl-1H-imidazol-3-ium bromide
CID 23724184
4,5-dibromo-N-[3-(1H-imidazol-1-yl)propyl]thiophene-2-carboxamide
CID 4834145
4-bromo-5-ethyl-N-[3-(1H-imidazol-1-yl)propyl]-2-thiophenecarboxamide
CID 2971029
N-[3-(1H-imidazol-1-yl)propyl]-5-methylthiophene-2-carboxamide
CID 13371091
5-bromo-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 1548729
5-bromo-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide
CID 2971078
1-methyl-3-(2-oxo-2-(thiophen-2-yl)ethyl)-1H-imidazol-3-ium bromide
CID 23724264
N-[4-(1H-imidazol-1-yl)butyl]-2-thiophenecarboxamide
CID 13371093
N-(3-imidazol-1-ylpropyl)-5-methylthiophene-3-carboxamide
CID 2971216
N-[3-(1H-imidazol-1-yl)propyl]-2-thiophenecarboxamide
CID 2842773
N-(3-imidazol-1-ylpropyl)-3-methylthiophene-2-carboxamide
CID 35523911
5-imidazol-1-yl-N-propylthiophene-2-carboxamide
CID 44481103

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide (CID 131043350) is 3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide is Cn1ccnc1NC(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide?
The InChIKey is CRVOITHLISJQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3OS/c1-13-4-3-11-9(13)12-8(14)7-6(10)2-5-15-7/h2-5H,1H3,(H,11,12,14).
What are the key properties of 3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide?
3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide has a molecular weight of 286.15 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 131043350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).