2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide

C13H14N2O2S — CID 17398411

IUPAC2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
SMILESCNC(=O)Cc1csc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C13H14N2O2S/c1-14-12(16)7-10-8-18-13(15-10)9-3-5-11(17-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyFJVXJKAGISPRLX-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.11
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide

2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide (PubChem CID 17398411) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
PubChem CID17398411
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
SMILESCNC(=O)Cc1csc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C13H14N2O2S/c1-14-12(16)7-10-8-18-13(15-10)9-3-5-11(17-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyFJVXJKAGISPRLX-UHFFFAOYSA-N
XLogP2.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 51808667
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370392
2-[[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 45369620
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 40820049
N-[2-(4-methoxyphenoxy)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24516189
N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 96565118
2-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 17164148
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 17468761
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55395310
N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8572766
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4782945

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide (CID 17398411) is 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide is CNC(=O)Cc1csc(-c2ccc(OC)cc2)n1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
The InChIKey is FJVXJKAGISPRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-14-12(16)7-10-8-18-13(15-10)9-3-5-11(17-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16).
What are the key properties of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide has a molecular weight of 262.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 17398411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).