2-[4-[(furan-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide

C18H19N3O3S — CID 2455372

IUPAC2-[4-[(furan-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cc1nc(CNCc2ccco2)cs1
InChIInChI=1S/C18H19N3O3S/c1-23-16-7-3-2-6-15(16)21-17(22)9-18-20-13(12-25-18)10-19-11-14-5-4-8-24-14/h2-8,12,19H,9-11H2,1H3,(H,21,22)
InChIKeyPHXOJWURRFNOOM-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.22
Rot. Bonds8

About 2-[4-[(furan-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide

2-[4-[(furan-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 2455372) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[4-[(furan-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(furan-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID2455372
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-[4-[(furan-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cc1nc(CNCc2ccco2)cs1
InChIInChI=1S/C18H19N3O3S/c1-23-16-7-3-2-6-15(16)21-17(22)9-18-20-13(12-25-18)10-19-11-14-5-4-8-24-14/h2-8,12,19H,9-11H2,1H3,(H,21,22)
InChIKeyPHXOJWURRFNOOM-UHFFFAOYSA-N
XLogP3.22
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 9027489
[2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 55358892
N-(2-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453114
[2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55368647
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-methoxybenzoate
CID 2648465
[2-[[5-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-thiazol-4-yl]methanol
CID 42836662
2-[4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
CID 2527051
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 38636235
[2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-thiophen-3-ylpropanoate
CID 55373574
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 43320061
N-(furan-2-ylmethyl)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 35859606
[2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 33420129

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(furan-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-[(furan-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide (CID 2455372) is 2-[4-[(furan-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[(furan-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[(furan-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cc1nc(CNCc2ccco2)cs1.
What is the InChIKey of 2-[4-[(furan-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is PHXOJWURRFNOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-23-16-7-3-2-6-15(16)21-17(22)9-18-20-13(12-25-18)10-19-11-14-5-4-8-24-14/h2-8,12,19H,9-11H2,1H3,(H,21,22).
What are the key properties of 2-[4-[(furan-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide?
2-[4-[(furan-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(furan-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 2455372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).