4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide

C11H10Br2N2O2S — CID 38880738

IUPAC4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cc(Br)c(Br)s2)no1
InChIInChI=1S/C11H10Br2N2O2S/c1-6-3-7(14-17-6)5-15(2)11(16)9-4-8(12)10(13)18-9/h3-4H,5H2,1-2H3
InChIKeyQIXFWFWCLBTELU-UHFFFAOYSA-N
MW394.09 g/mol
LogP3.84
Rot. Bonds3

About 4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide

4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 38880738) has the molecular formula C11H10Br2N2O2S and a molecular weight of 394.09 g/mol. Its IUPAC name is 4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
PubChem CID38880738
Molecular FormulaC11H10Br2N2O2S
Molecular Weight394.09 g/mol
Exact Mass391.88
IUPAC Name4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cc(Br)c(Br)s2)no1
InChIInChI=1S/C11H10Br2N2O2S/c1-6-3-7(14-17-6)5-15(2)11(16)9-4-8(12)10(13)18-9/h3-4H,5H2,1-2H3
InChIKeyQIXFWFWCLBTELU-UHFFFAOYSA-N
XLogP3.84
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.09
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide (CID 38880738) is 4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide is Cc1cc(CN(C)C(=O)c2cc(Br)c(Br)s2)no1.
What is the InChIKey of 4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is QIXFWFWCLBTELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2O2S/c1-6-3-7(14-17-6)5-15(2)11(16)9-4-8(12)10(13)18-9/h3-4H,5H2,1-2H3.
What are the key properties of 4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide?
4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 394.09 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 38880738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).