2-[bis(furan-2-ylmethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide

C23H23N3O5S — CID 55446262

IUPAC2-[bis(furan-2-ylmethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN(Cc3ccco3)Cc3ccco3)n2)c(OC)c1
InChIInChI=1S/C23H23N3O5S/c1-28-16-7-8-19(21(11-16)29-2)20-15-32-23(24-20)25-22(27)14-26(12-17-5-3-9-30-17)13-18-6-4-10-31-18/h3-11,15H,12-14H2,1-2H3,(H,24,25,27)
InChIKeyUEYWPFCDLMGOHY-UHFFFAOYSA-N
MW453.52 g/mol
LogP4.65
Rot. Bonds10

About 2-[bis(furan-2-ylmethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-[bis(furan-2-ylmethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 55446262) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is 2-[bis(furan-2-ylmethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[bis(furan-2-ylmethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID55446262
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Name2-[bis(furan-2-ylmethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN(Cc3ccco3)Cc3ccco3)n2)c(OC)c1
InChIInChI=1S/C23H23N3O5S/c1-28-16-7-8-19(21(11-16)29-2)20-15-32-23(24-20)25-22(27)14-26(12-17-5-3-9-30-17)13-18-6-4-10-31-18/h3-11,15H,12-14H2,1-2H3,(H,24,25,27)
InChIKeyUEYWPFCDLMGOHY-UHFFFAOYSA-N
XLogP4.65
TPSA89.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate
CID 7486674
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 55446124
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 24593910
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 16564148
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide
CID 18586800
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide
CID 92551611
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 24593603
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-nitrophenyl)acetamide
CID 18127573
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methylbut-2-enamide
CID 30659809
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7254805
N-[2-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 18290094

Frequently Asked Questions

What is the IUPAC name of 2-[bis(furan-2-ylmethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[bis(furan-2-ylmethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 55446262) is 2-[bis(furan-2-ylmethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[bis(furan-2-ylmethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[bis(furan-2-ylmethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2csc(NC(=O)CN(Cc3ccco3)Cc3ccco3)n2)c(OC)c1.
What is the InChIKey of 2-[bis(furan-2-ylmethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is UEYWPFCDLMGOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-28-16-7-8-19(21(11-16)29-2)20-15-32-23(24-20)25-22(27)14-26(12-17-5-3-9-30-17)13-18-6-4-10-31-18/h3-11,15H,12-14H2,1-2H3,(H,24,25,27).
What are the key properties of 2-[bis(furan-2-ylmethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-[bis(furan-2-ylmethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 453.52 g/mol, XLogP of 4.65, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(furan-2-ylmethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 55446262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).