N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide

C20H13Cl3N2O3S — CID 19415531

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3ccc(COc4c(Cl)cc(Cl)cc4Cl)o3)sc2c1
InChIInChI=1S/C20H13Cl3N2O3S/c1-10-2-4-15-17(6-10)29-20(24-15)25-19(26)16-5-3-12(28-16)9-27-18-13(22)7-11(21)8-14(18)23/h2-8H,9H2,1H3,(H,24,25,26)
InChIKeyVXQCUAOOIIBSDK-UHFFFAOYSA-N
MW467.76 g/mol
LogP6.99
Rot. Bonds5

About N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide

N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19415531) has the molecular formula C20H13Cl3N2O3S and a molecular weight of 467.76 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
PubChem CID19415531
Molecular FormulaC20H13Cl3N2O3S
Molecular Weight467.76 g/mol
Exact Mass465.97
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3ccc(COc4c(Cl)cc(Cl)cc4Cl)o3)sc2c1
InChIInChI=1S/C20H13Cl3N2O3S/c1-10-2-4-15-17(6-10)29-20(24-15)25-19(26)16-5-3-12(28-16)9-27-18-13(22)7-11(21)8-14(18)23/h2-8H,9H2,1H3,(H,24,25,26)
InChIKeyVXQCUAOOIIBSDK-UHFFFAOYSA-N
XLogP6.99
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.76
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide with MolForge

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Related Compounds

5-[(2,4-dichlorophenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 19456959
5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 887647
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19461491
3,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide
CID 18854098
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 35523457
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19446714
3,5-dichloro-4-heptoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18854102
5-[(4-tert-butylphenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 19452541
5-[(4-acetylphenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 19455335
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461707
N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415493
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19412762

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (CID 19415531) is N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is Cc1ccc2nc(NC(=O)c3ccc(COc4c(Cl)cc(Cl)cc4Cl)o3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is VXQCUAOOIIBSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl3N2O3S/c1-10-2-4-15-17(6-10)29-20(24-15)25-19(26)16-5-3-12(28-16)9-27-18-13(22)7-11(21)8-14(18)23/h2-8H,9H2,1H3,(H,24,25,26).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 467.76 g/mol, XLogP of 6.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19415531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).