3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide

C13H14N2O3S — CID 977973

IUPAC3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(OCCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H14N2O3S/c1-17-10-2-4-11(5-3-10)18-8-6-12(16)15-13-14-7-9-19-13/h2-5,7,9H,6,8H2,1H3,(H,14,15,16)
InChIKeyVRVAHCRMDQSTKZ-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.56
Rot. Bonds6

About 3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide

3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 977973) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID977973
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(OCCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H14N2O3S/c1-17-10-2-4-11(5-3-10)18-8-6-12(16)15-13-14-7-9-19-13/h2-5,7,9H,6,8H2,1H3,(H,14,15,16)
InChIKeyVRVAHCRMDQSTKZ-UHFFFAOYSA-N
XLogP2.56
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Phenoxy-ethyl)-3-thiazol-2-yl-thiourea
CID 3003029
2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 721272
2-Amino-5-thio-substituted thiazole 69
CID 5329705
4-(2-methoxyphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 1631626
2-(4-ethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2514833
2-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 693869
4-phenoxy-N-(1,3-thiazol-2-yl)butanamide
CID 1570036
2-phenoxy-N-(1,3-thiazol-2-yl)acetamide
CID 2787061
N1-(1,3-thiazol-2-yl)-3-(4-fluorophenoxy)propanamide
CID 2739506
3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 2163381
2-(4-ethoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 732622
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2673081

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide (CID 977973) is 3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide is COc1ccc(OCCC(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is VRVAHCRMDQSTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-17-10-2-4-11(5-3-10)18-8-6-12(16)15-13-14-7-9-19-13/h2-5,7,9H,6,8H2,1H3,(H,14,15,16).
What are the key properties of 3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 278.33 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 977973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).