2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide

C13H14N2O3S — CID 648788

IUPAC2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nccs2)cc1OC
InChIInChI=1S/C13H14N2O3S/c1-17-10-4-3-9(7-11(10)18-2)8-12(16)15-13-14-5-6-19-13/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyMFKIXKRMNXRYEN-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.34
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 648788) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID648788
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nccs2)cc1OC
InChIInChI=1S/C13H14N2O3S/c1-17-10-4-3-9(7-11(10)18-2)8-12(16)15-13-14-5-6-19-13/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyMFKIXKRMNXRYEN-UHFFFAOYSA-N
XLogP2.34
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 110476504
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 108891342
2-(3,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 49356856
4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid
CID 79737424
1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59725734
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide
CID 2091135
2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 6468138
methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-2-carboxylate
CID 896829
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 26688189
2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 669868
N-(3-cyanothiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 16911918

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide (CID 648788) is 2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide is COc1ccc(CC(=O)Nc2nccs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is MFKIXKRMNXRYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-17-10-4-3-9(7-11(10)18-2)8-12(16)15-13-14-5-6-19-13/h3-7H,8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 278.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 648788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).