5-bromo-3-fluoro-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

C11H14BrFN2OS — CID 156845258

IUPAC5-bromo-3-fluoro-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCN1CCC(NC(=O)c2sc(Br)cc2F)CC1
InChIInChI=1S/C11H14BrFN2OS/c1-15-4-2-7(3-5-15)14-11(16)10-8(13)6-9(12)17-10/h6-7H,2-5H2,1H3,(H,14,16)
InChIKeyYIPLWCQAUWYIDQ-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.47
Rot. Bonds2

About 5-bromo-3-fluoro-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

5-bromo-3-fluoro-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 156845258) has the molecular formula C11H14BrFN2OS and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID156845258
Molecular FormulaC11H14BrFN2OS
Molecular Weight321.22 g/mol
Exact Mass320.00
IUPAC Name5-bromo-3-fluoro-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCN1CCC(NC(=O)c2sc(Br)cc2F)CC1
InChIInChI=1S/C11H14BrFN2OS/c1-15-4-2-7(3-5-15)14-11(16)10-8(13)6-9(12)17-10/h6-7H,2-5H2,1H3,(H,14,16)
InChIKeyYIPLWCQAUWYIDQ-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-3-fluoro-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (CID 156845258) is 5-bromo-3-fluoro-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-3-fluoro-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-3-fluoro-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is CN1CCC(NC(=O)c2sc(Br)cc2F)CC1.
What is the InChIKey of 5-bromo-3-fluoro-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is YIPLWCQAUWYIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2OS/c1-15-4-2-7(3-5-15)14-11(16)10-8(13)6-9(12)17-10/h6-7H,2-5H2,1H3,(H,14,16).
What are the key properties of 5-bromo-3-fluoro-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
5-bromo-3-fluoro-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 321.22 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 156845258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).