4-bromo-3-methoxy-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride

C13H20BrClN2O2S — CID 120555972

IUPAC4-bromo-3-methoxy-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
SMILESCOc1c(C(=O)NC2CCNCC2C)sc(C)c1Br.Cl
InChIInChI=1S/C13H19BrN2O2S.ClH/c1-7-6-15-5-4-9(7)16-13(17)12-11(18-3)10(14)8(2)19-12;/h7,9,15H,4-6H2,1-3H3,(H,16,17);1H
InChIKeyQGVZYJGVJIQPHC-UHFFFAOYSA-N
MW383.74 g/mol
LogP2.98
Rot. Bonds3

About 4-bromo-3-methoxy-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride

4-bromo-3-methoxy-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride (PubChem CID 120555972) has the molecular formula C13H20BrClN2O2S and a molecular weight of 383.74 g/mol. Its IUPAC name is 4-bromo-3-methoxy-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-3-methoxy-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
PubChem CID120555972
Molecular FormulaC13H20BrClN2O2S
Molecular Weight383.74 g/mol
Exact Mass382.01
IUPAC Name4-bromo-3-methoxy-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
SMILESCOc1c(C(=O)NC2CCNCC2C)sc(C)c1Br.Cl
InChIInChI=1S/C13H19BrN2O2S.ClH/c1-7-6-15-5-4-9(7)16-13(17)12-11(18-3)10(14)8(2)19-12;/h7,9,15H,4-6H2,1-3H3,(H,16,17);1H
InChIKeyQGVZYJGVJIQPHC-UHFFFAOYSA-N
XLogP2.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.74
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 4-bromo-3-methoxy-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride (CID 120555972) is 4-bromo-3-methoxy-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-bromo-3-methoxy-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 4-bromo-3-methoxy-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride is COc1c(C(=O)NC2CCNCC2C)sc(C)c1Br.Cl.
What is the InChIKey of 4-bromo-3-methoxy-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is QGVZYJGVJIQPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S.ClH/c1-7-6-15-5-4-9(7)16-13(17)12-11(18-3)10(14)8(2)19-12;/h7,9,15H,4-6H2,1-3H3,(H,16,17);1H.
What are the key properties of 4-bromo-3-methoxy-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride?
4-bromo-3-methoxy-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 383.74 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120555972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).