N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-bromofuran-2-carboxamide

C11H9BrN2O3S — CID 896250

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-bromofuran-2-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(Br)o2)nc1C
InChIInChI=1S/C11H9BrN2O3S/c1-5-9(6(2)15)18-11(13-5)14-10(16)7-3-4-8(12)17-7/h3-4H,1-2H3,(H,13,14,16)
InChIKeySEDOUZDXUVBHBG-UHFFFAOYSA-N
MW329.18 g/mol
LogP3.26
Rot. Bonds3

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-bromofuran-2-carboxamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-bromofuran-2-carboxamide (PubChem CID 896250) has the molecular formula C11H9BrN2O3S and a molecular weight of 329.18 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-bromofuran-2-carboxamide
PubChem CID896250
Molecular FormulaC11H9BrN2O3S
Molecular Weight329.18 g/mol
Exact Mass327.95
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-bromofuran-2-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(Br)o2)nc1C
InChIInChI=1S/C11H9BrN2O3S/c1-5-9(6(2)15)18-11(13-5)14-10(16)7-3-4-8(12)17-7/h3-4H,1-2H3,(H,13,14,16)
InChIKeySEDOUZDXUVBHBG-UHFFFAOYSA-N
XLogP3.26
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-bromofuran-2-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-bromofuran-2-carboxamide (CID 896250) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-bromofuran-2-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-bromofuran-2-carboxamide is CC(=O)c1sc(NC(=O)c2ccc(Br)o2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-bromofuran-2-carboxamide?
The InChIKey is SEDOUZDXUVBHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3S/c1-5-9(6(2)15)18-11(13-5)14-10(16)7-3-4-8(12)17-7/h3-4H,1-2H3,(H,13,14,16).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-bromofuran-2-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-bromofuran-2-carboxamide has a molecular weight of 329.18 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-bromofuran-2-carboxamide is sourced from PubChem (CID 896250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).