3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C14H16N2O2S — CID 2110385

IUPAC3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ncc(C)s2)cc1
InChIInChI=1S/C14H16N2O2S/c1-10-9-15-14(19-10)16-13(17)8-5-11-3-6-12(18-2)7-4-11/h3-4,6-7,9H,5,8H2,1-2H3,(H,15,16,17)
InChIKeySFRGYNDCONTRKB-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.03
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 2110385) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID2110385
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ncc(C)s2)cc1
InChIInChI=1S/C14H16N2O2S/c1-10-9-15-14(19-10)16-13(17)8-5-11-3-6-12(18-2)7-4-11/h3-4,6-7,9H,5,8H2,1-2H3,(H,15,16,17)
InChIKeySFRGYNDCONTRKB-UHFFFAOYSA-N
XLogP3.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 2110385) is 3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is COc1ccc(CCC(=O)Nc2ncc(C)s2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is SFRGYNDCONTRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-9-15-14(19-10)16-13(17)8-5-11-3-6-12(18-2)7-4-11/h3-4,6-7,9H,5,8H2,1-2H3,(H,15,16,17).
What are the key properties of 3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 276.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2110385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).