2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]acetamide

C22H19N3O4S — CID 55800950

IUPAC2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]acetamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)Cc3csc(-c4ccco4)n3)cn2)c1
InChIInChI=1S/C22H19N3O4S/c1-27-17-4-2-5-18(11-17)29-21-8-7-15(13-24-21)12-23-20(26)10-16-14-30-22(25-16)19-6-3-9-28-19/h2-9,11,13-14H,10,12H2,1H3,(H,23,26)
InChIKeyCUCXZQYFGBVLCL-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.46
Rot. Bonds8

About 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]acetamide

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]acetamide (PubChem CID 55800950) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]acetamide
PubChem CID55800950
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]acetamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)Cc3csc(-c4ccco4)n3)cn2)c1
InChIInChI=1S/C22H19N3O4S/c1-27-17-4-2-5-18(11-17)29-21-8-7-15(13-24-21)12-23-20(26)10-16-14-30-22(25-16)19-6-3-9-28-19/h2-9,11,13-14H,10,12H2,1H3,(H,23,26)
InChIKeyCUCXZQYFGBVLCL-UHFFFAOYSA-N
XLogP4.46
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]acetamide with MolForge

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Related Compounds

1-(furan-2-ylmethyl)-3-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 110934076
N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2-naphthalen-1-ylacetohydrazide
CID 32702744
1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119847608
N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 30749222
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119847596
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55800668
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide
CID 55800755
5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 55800565
4-bromo-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 55858376
N-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 55857997
4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide
CID 55858632
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55800754

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]acetamide (CID 55800950) is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]acetamide is COc1cccc(Oc2ccc(CNC(=O)Cc3csc(-c4ccco4)n3)cn2)c1.
What is the InChIKey of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]acetamide?
The InChIKey is CUCXZQYFGBVLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-27-17-4-2-5-18(11-17)29-21-8-7-15(13-24-21)12-23-20(26)10-16-14-30-22(25-16)19-6-3-9-28-19/h2-9,11,13-14H,10,12H2,1H3,(H,23,26).
What are the key properties of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]acetamide?
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]acetamide has a molecular weight of 421.48 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 55800950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).