2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide

C21H19N3O2S3 — CID 16572684

IUPAC2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(OCc2nc(CC(=O)Nc3nc(-c4ccc(C)s4)cs3)cs2)cc1
InChIInChI=1S/C21H19N3O2S3/c1-13-3-6-16(7-4-13)26-10-20-22-15(11-27-20)9-19(25)24-21-23-17(12-28-21)18-8-5-14(2)29-18/h3-8,11-12H,9-10H2,1-2H3,(H,23,24,25)
InChIKeyHSJDTTUIAZSHJF-UHFFFAOYSA-N
MW441.60 g/mol
LogP5.71
Rot. Bonds7

About 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide

2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 16572684) has the molecular formula C21H19N3O2S3 and a molecular weight of 441.60 g/mol. Its IUPAC name is 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID16572684
Molecular FormulaC21H19N3O2S3
Molecular Weight441.60 g/mol
Exact Mass441.06
IUPAC Name2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(OCc2nc(CC(=O)Nc3nc(-c4ccc(C)s4)cs3)cs2)cc1
InChIInChI=1S/C21H19N3O2S3/c1-13-3-6-16(7-4-13)26-10-20-22-15(11-27-20)9-19(25)24-21-23-17(12-28-21)18-8-5-14(2)29-18/h3-8,11-12H,9-10H2,1-2H3,(H,23,24,25)
InChIKeyHSJDTTUIAZSHJF-UHFFFAOYSA-N
XLogP5.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.60
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
N-(6-chloro-1,3-benzothiazol-2-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 27872219
N-[4-(dimethylamino)phenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 112500932
2-[2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 20894871
N-(4-tert-butylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 50753766
N-(6-chloropyrazin-2-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 47090661
N-(5-bromo-2-pyridinyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 55457546
N-[2-(ethylamino)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119507257
N-(3-fluoro-4-methylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 25488180
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 17498942
2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide
CID 35271838
N-[1-(5-methylfuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 51266458

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide (CID 16572684) is 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(OCc2nc(CC(=O)Nc3nc(-c4ccc(C)s4)cs3)cs2)cc1.
What is the InChIKey of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is HSJDTTUIAZSHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S3/c1-13-3-6-16(7-4-13)26-10-20-22-15(11-27-20)9-19(25)24-21-23-17(12-28-21)18-8-5-14(2)29-18/h3-8,11-12H,9-10H2,1-2H3,(H,23,24,25).
What are the key properties of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide?
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 441.60 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 16572684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).