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

C23H19BrN2O3S — CID 43837087

IUPACN-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESCc1nc(NC(=O)c2ccc(COc3ccccc3)o2)sc1Cc1cccc(Br)c1
InChIInChI=1S/C23H19BrN2O3S/c1-15-21(13-16-6-5-7-17(24)12-16)30-23(25-15)26-22(27)20-11-10-19(29-20)14-28-18-8-3-2-4-9-18/h2-12H,13-14H2,1H3,(H,25,26,27)
InChIKeyTVAYGISDCUOIOV-UHFFFAOYSA-N
MW483.39 g/mol
LogP6.23
Rot. Bonds7

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

N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 43837087) has the molecular formula C23H19BrN2O3S and a molecular weight of 483.39 g/mol. Its IUPAC name is N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID43837087
Molecular FormulaC23H19BrN2O3S
Molecular Weight483.39 g/mol
Exact Mass482.03
IUPAC NameN-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESCc1nc(NC(=O)c2ccc(COc3ccccc3)o2)sc1Cc1cccc(Br)c1
InChIInChI=1S/C23H19BrN2O3S/c1-15-21(13-16-6-5-7-17(24)12-16)30-23(25-15)26-22(27)20-11-10-19(29-20)14-28-18-8-3-2-4-9-18/h2-12H,13-14H2,1H3,(H,25,26,27)
InChIKeyTVAYGISDCUOIOV-UHFFFAOYSA-N
XLogP6.23
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.39
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide with MolForge

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Related Compounds

N-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 43837104
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
5-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 19415409
5-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 19446949
N-(6-bromo-1,3-benzothiazol-2-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 34852399
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19465525
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 43836729
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
5-[(3-bromophenoxy)methyl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55778152
N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43836942
N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 43836812

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide (CID 43837087) is N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide is Cc1nc(NC(=O)c2ccc(COc3ccccc3)o2)sc1Cc1cccc(Br)c1.
What is the InChIKey of N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is TVAYGISDCUOIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O3S/c1-15-21(13-16-6-5-7-17(24)12-16)30-23(25-15)26-22(27)20-11-10-19(29-20)14-28-18-8-3-2-4-9-18/h2-12H,13-14H2,1H3,(H,25,26,27).
What are the key properties of N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide?
N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 483.39 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 43837087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).