2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide

C23H21N3O2S2 — CID 27872001

IUPAC2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
SMILESCc1ccc(OCc2nc(CC(=O)N(c3ccccc3)c3nc(C)cs3)cs2)cc1
InChIInChI=1S/C23H21N3O2S2/c1-16-8-10-20(11-9-16)28-13-21-25-18(15-29-21)12-22(27)26(19-6-4-3-5-7-19)23-24-17(2)14-30-23/h3-11,14-15H,12-13H2,1-2H3
InChIKeyBADXLXIJFMAQCQ-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.70
Rot. Bonds7

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

2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide (PubChem CID 27872001) has the molecular formula C23H21N3O2S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
PubChem CID27872001
Molecular FormulaC23H21N3O2S2
Molecular Weight435.57 g/mol
Exact Mass435.11
IUPAC Name2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
SMILESCc1ccc(OCc2nc(CC(=O)N(c3ccccc3)c3nc(C)cs3)cs2)cc1
InChIInChI=1S/C23H21N3O2S2/c1-16-8-10-20(11-9-16)28-13-21-25-18(15-29-21)12-22(27)26(19-6-4-3-5-7-19)23-24-17(2)14-30-23/h3-11,14-15H,12-13H2,1-2H3
InChIKeyBADXLXIJFMAQCQ-UHFFFAOYSA-N
XLogP5.70
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 46586329
3-[methyl-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119232998
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 134008734
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 111543162
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 31144646
N-benzyl-N-(furan-2-ylmethyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 37428292
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
N-(1-aminopropan-2-yl)-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119583421
N-(3-cyanophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 60615429
2-(2,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 42999079
N-butan-2-yl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 46009312

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The IUPAC name of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide (CID 27872001) is 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide is Cc1ccc(OCc2nc(CC(=O)N(c3ccccc3)c3nc(C)cs3)cs2)cc1.
What is the InChIKey of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The InChIKey is BADXLXIJFMAQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S2/c1-16-8-10-20(11-9-16)28-13-21-25-18(15-29-21)12-22(27)26(19-6-4-3-5-7-19)23-24-17(2)14-30-23/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide has a molecular weight of 435.57 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide is sourced from PubChem (CID 27872001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).