N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

C25H24N2O4S — CID 46434002

IUPACN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(OCc2nc(C(=O)NCc3cccc(COCc4ccco4)c3)cs2)cc1
InChIInChI=1S/C25H24N2O4S/c1-18-7-9-21(10-8-18)31-16-24-27-23(17-32-24)25(28)26-13-19-4-2-5-20(12-19)14-29-15-22-6-3-11-30-22/h2-12,17H,13-16H2,1H3,(H,26,28)
InChIKeyUFMLZEGRGNXKAW-UHFFFAOYSA-N
MW448.54 g/mol
LogP5.27
Rot. Bonds10

About N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46434002) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
PubChem CID46434002
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC NameN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(OCc2nc(C(=O)NCc3cccc(COCc4ccco4)c3)cs2)cc1
InChIInChI=1S/C25H24N2O4S/c1-18-7-9-21(10-8-18)31-16-24-27-23(17-32-24)25(28)26-13-19-4-2-5-20(12-19)14-29-15-22-6-3-11-30-22/h2-12,17H,13-16H2,1H3,(H,26,28)
InChIKeyUFMLZEGRGNXKAW-UHFFFAOYSA-N
XLogP5.27
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 55661067
N-(furan-2-ylmethyl)-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065753
2-[(3-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24712458
2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46149440
2-[(4-methylphenoxy)methyl]-N-(3-phenylmethoxypropyl)-1,3-thiazole-4-carboxamide
CID 41365907
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 55661006
2-(4-ethylphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]acetamide
CID 55660922
N-[2-[(3-fluorobenzoyl)amino]ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46105843
N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42865798
4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 55660950
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-hydroxybenzamide
CID 39180502
N-benzyl-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003204

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide (CID 46434002) is N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide is Cc1ccc(OCc2nc(C(=O)NCc3cccc(COCc4ccco4)c3)cs2)cc1.
What is the InChIKey of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UFMLZEGRGNXKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-18-7-9-21(10-8-18)31-16-24-27-23(17-32-24)25(28)26-13-19-4-2-5-20(12-19)14-29-15-22-6-3-11-30-22/h2-12,17H,13-16H2,1H3,(H,26,28).
What are the key properties of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 5.27, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46434002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).