N-(4-tert-butyl-1,3-thiazol-2-yl)-2-phenoxyacetamide

C15H18N2O2S — CID 800090

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
SMILESCC(C)(C)c1csc(NC(=O)COc2ccccc2)n1
InChIInChI=1S/C15H18N2O2S/c1-15(2,3)12-10-20-14(16-12)17-13(18)9-19-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,16,17,18)
InChIKeyVUDGJEZMZJYCJP-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.46
Rot. Bonds4

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-phenoxyacetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-phenoxyacetamide (PubChem CID 800090) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
PubChem CID800090
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
SMILESCC(C)(C)c1csc(NC(=O)COc2ccccc2)n1
InChIInChI=1S/C15H18N2O2S/c1-15(2,3)12-10-20-14(16-12)17-13(18)9-19-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,16,17,18)
InChIKeyVUDGJEZMZJYCJP-UHFFFAOYSA-N
XLogP3.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Phenoxymethyl)-1,3-thiazol-2-amine
CID 2050028
2-phenoxy-N-(1,3-thiazol-2-yl)acetamide
CID 2787061
N-(4,5-Dimethyl-thiazol-2-yl)-2-(2-methoxy-phenoxy)-acetamide
CID 893843
Ethyl (2-{[(3-methylphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 699676
Ethyl (2-{[(4-methylphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 2066145
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2122298
4-(4-Methoxy-phenoxymethyl)-thiazol-2-ylamine
CID 3870776
N-[4-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-thiazol-2-yl]-acetamide
CID 3155495
4-Methyl-2-(2-phenoxy-acetylamino)-thiazole-5-carboxylic acid methyl ester
CID 647925
N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 830441
{2-[2-(4-Methoxy-phenoxy)-acetylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 986301
Ethyl (2-{[(2-ethoxyphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 1192514

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-phenoxyacetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-phenoxyacetamide (CID 800090) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-phenoxyacetamide is CC(C)(C)c1csc(NC(=O)COc2ccccc2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-phenoxyacetamide?
The InChIKey is VUDGJEZMZJYCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-15(2,3)12-10-20-14(16-12)17-13(18)9-19-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,16,17,18).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-phenoxyacetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-phenoxyacetamide has a molecular weight of 290.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-phenoxyacetamide is sourced from PubChem (CID 800090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).