2-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide

C13H14N2O3S — CID 51146790

IUPAC2-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
SMILESCOc1ccc(OCC(=O)/N=c2/sccn2C)cc1
InChIInChI=1S/C13H14N2O3S/c1-15-7-8-19-13(15)14-12(16)9-18-11-5-3-10(17-2)4-6-11/h3-8H,9H2,1-2H3/b14-13+
InChIKeyBIPSCWJVOCEOBJ-BUHFOSPRSA-N
MW278.33 g/mol
LogP1.60
Rot. Bonds4

About 2-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide

2-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide (PubChem CID 51146790) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
PubChem CID51146790
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
SMILESCOc1ccc(OCC(=O)/N=c2/sccn2C)cc1
InChIInChI=1S/C13H14N2O3S/c1-15-7-8-19-13(15)14-12(16)9-18-11-5-3-10(17-2)4-6-11/h3-8H,9H2,1-2H3/b14-13+
InChIKeyBIPSCWJVOCEOBJ-BUHFOSPRSA-N
XLogP1.60
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide (CID 51146790) is 2-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide is COc1ccc(OCC(=O)/N=c2/sccn2C)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The InChIKey is BIPSCWJVOCEOBJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-15-7-8-19-13(15)14-12(16)9-18-11-5-3-10(17-2)4-6-11/h3-8H,9H2,1-2H3/b14-13+.
What are the key properties of 2-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
2-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide has a molecular weight of 278.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide is sourced from PubChem (CID 51146790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).