5-[(4-bromophenoxy)methyl]-N-methyl-N-(1,3-thiazol-2-yl)furan-2-carboxamide

C16H13BrN2O3S — CID 47047134

IUPAC5-[(4-bromophenoxy)methyl]-N-methyl-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1nccs1
InChIInChI=1S/C16H13BrN2O3S/c1-19(16-18-8-9-23-16)15(20)14-7-6-13(22-14)10-21-12-4-2-11(17)3-5-12/h2-9H,10H2,1H3
InChIKeyFFEAWIHPUSKSKJ-UHFFFAOYSA-N
MW393.26 g/mol
LogP4.35
Rot. Bonds5

About 5-[(4-bromophenoxy)methyl]-N-methyl-N-(1,3-thiazol-2-yl)furan-2-carboxamide

5-[(4-bromophenoxy)methyl]-N-methyl-N-(1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 47047134) has the molecular formula C16H13BrN2O3S and a molecular weight of 393.26 g/mol. Its IUPAC name is 5-[(4-bromophenoxy)methyl]-N-methyl-N-(1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromophenoxy)methyl]-N-methyl-N-(1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID47047134
Molecular FormulaC16H13BrN2O3S
Molecular Weight393.26 g/mol
Exact Mass391.98
IUPAC Name5-[(4-bromophenoxy)methyl]-N-methyl-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1nccs1
InChIInChI=1S/C16H13BrN2O3S/c1-19(16-18-8-9-23-16)15(20)14-7-6-13(22-14)10-21-12-4-2-11(17)3-5-12/h2-9H,10H2,1H3
InChIKeyFFEAWIHPUSKSKJ-UHFFFAOYSA-N
XLogP4.35
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide
CID 55772175
N-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119583540
5-[(4-bromophenoxy)methyl]-N-cyclopropyl-N-(3-methylbutan-2-yl)furan-2-carboxamide
CID 55775045
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19451903
N-methyl-5-(phenoxymethyl)-N-phenylfuran-2-carboxamide
CID 31529020
N-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119628540
N-(1H-benzimidazol-2-ylmethyl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 55824074
5-[(4-bromophenoxy)methyl]-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methylfuran-2-carboxamide
CID 102557908
N,N-dimethyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 39001167
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19323062
N-(4-carbamoylphenyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 55903829
2-[[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]-methylamino]propanoic acid
CID 119209498

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenoxy)methyl]-N-methyl-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-bromophenoxy)methyl]-N-methyl-N-(1,3-thiazol-2-yl)furan-2-carboxamide (CID 47047134) is 5-[(4-bromophenoxy)methyl]-N-methyl-N-(1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromophenoxy)methyl]-N-methyl-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromophenoxy)methyl]-N-methyl-N-(1,3-thiazol-2-yl)furan-2-carboxamide is CN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)c1nccs1.
What is the InChIKey of 5-[(4-bromophenoxy)methyl]-N-methyl-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is FFEAWIHPUSKSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3S/c1-19(16-18-8-9-23-16)15(20)14-7-6-13(22-14)10-21-12-4-2-11(17)3-5-12/h2-9H,10H2,1H3.
What are the key properties of 5-[(4-bromophenoxy)methyl]-N-methyl-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
5-[(4-bromophenoxy)methyl]-N-methyl-N-(1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 393.26 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenoxy)methyl]-N-methyl-N-(1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 47047134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).