N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide

C16H18N2O4S — CID 19177786

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)Nc2nc(C)c(C(C)=O)s2)cc1
InChIInChI=1S/C16H18N2O4S/c1-4-21-12-5-7-13(8-6-12)22-9-14(20)18-16-17-10(2)15(23-16)11(3)19/h5-8H,4,9H2,1-3H3,(H,17,18,20)
InChIKeyJATZPADRTVIOEP-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.07
Rot. Bonds7

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide (PubChem CID 19177786) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide
PubChem CID19177786
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)Nc2nc(C)c(C(C)=O)s2)cc1
InChIInChI=1S/C16H18N2O4S/c1-4-21-12-5-7-13(8-6-12)22-9-14(20)18-16-17-10(2)15(23-16)11(3)19/h5-8H,4,9H2,1-3H3,(H,17,18,20)
InChIKeyJATZPADRTVIOEP-UHFFFAOYSA-N
XLogP3.07
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 4801918
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 19178514
methyl 4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylate
CID 647925
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-chlorophenoxy)acetamide
CID 19178556
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide
CID 19183925
2-(4-ethoxyphenoxy)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43988981
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxyacetamide
CID 43853851
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 19202937
2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 19178619
2-(4-ethoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3298902
N-benzyl-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide
CID 1468268
2-methylpropyl 2-[[2-(4-formylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 23410765

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide (CID 19177786) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide is CCOc1ccc(OCC(=O)Nc2nc(C)c(C(C)=O)s2)cc1.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide?
The InChIKey is JATZPADRTVIOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-4-21-12-5-7-13(8-6-12)22-9-14(20)18-16-17-10(2)15(23-16)11(3)19/h5-8H,4,9H2,1-3H3,(H,17,18,20).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide has a molecular weight of 334.40 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide is sourced from PubChem (CID 19177786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).