N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

C21H20N4O2S — CID 39518233

IUPACN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)NCc3ccccc3Cn3ccnc3)cs2)o1
InChIInChI=1S/C21H20N4O2S/c1-15-6-7-19(27-15)21-24-18(13-28-21)10-20(26)23-11-16-4-2-3-5-17(16)12-25-9-8-22-14-25/h2-9,13-14H,10-12H2,1H3,(H,23,26)
InChIKeyIVLGHKZQBZOYON-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.82
Rot. Bonds7

About N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 39518233) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID39518233
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)NCc3ccccc3Cn3ccnc3)cs2)o1
InChIInChI=1S/C21H20N4O2S/c1-15-6-7-19(27-15)21-24-18(13-28-21)10-20(26)23-11-16-4-2-3-5-17(16)12-25-9-8-22-14-25/h2-9,13-14H,10-12H2,1H3,(H,23,26)
InChIKeyIVLGHKZQBZOYON-UHFFFAOYSA-N
XLogP3.82
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide
CID 55798951
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55618608
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24676414
2-[4-[[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698581
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55606036
N-[2-(methylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 120831629
2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119250199
N-(2-amino-2-ethylbutyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119642126
N-[(2R)-2-(ethylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120652026
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46407903
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46494595

Frequently Asked Questions

What is the IUPAC name of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (CID 39518233) is N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is Cc1ccc(-c2nc(CC(=O)NCc3ccccc3Cn3ccnc3)cs2)o1.
What is the InChIKey of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is IVLGHKZQBZOYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-15-6-7-19(27-15)21-24-18(13-28-21)10-20(26)23-11-16-4-2-3-5-17(16)12-25-9-8-22-14-25/h2-9,13-14H,10-12H2,1H3,(H,23,26).
What are the key properties of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 392.48 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 39518233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).