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

C11H12BrN3OS — CID 60778085

IUPAC3-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCN(Cc1nccn1C)C(=O)c1sccc1Br
InChIInChI=1S/C11H12BrN3OS/c1-14-5-4-13-9(14)7-15(2)11(16)10-8(12)3-6-17-10/h3-6H,7H2,1-2H3
InChIKeyHFLULTXZYQGHBT-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.52
Rot. Bonds3

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

3-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 60778085) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
PubChem CID60778085
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name3-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCN(Cc1nccn1C)C(=O)c1sccc1Br
InChIInChI=1S/C11H12BrN3OS/c1-14-5-4-13-9(14)7-15(2)11(16)10-8(12)3-6-17-10/h3-6H,7H2,1-2H3
InChIKeyHFLULTXZYQGHBT-UHFFFAOYSA-N
XLogP2.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103979664
5-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thiophene-2-carboxylic acid
CID 60721954
4-bromo-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47120153
2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 107904600
3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide
CID 131043350
2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62662294
3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47116905
2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717766
4-(1,3-dithiolan-2-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 86908152
2-hydroxy-5-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717793
5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 113383759
N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81241836

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide (CID 60778085) is 3-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide is CN(Cc1nccn1C)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is HFLULTXZYQGHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-14-5-4-13-9(14)7-15(2)11(16)10-8(12)3-6-17-10/h3-6H,7H2,1-2H3.
What are the key properties of 3-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?
3-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 314.21 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 60778085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).