1-[2-[(2-methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone

C14H16N2O2S — CID 2443329

IUPAC1-[2-[(2-methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccccc1CNc1nc(C)c(C(C)=O)s1
InChIInChI=1S/C14H16N2O2S/c1-9-13(10(2)17)19-14(16-9)15-8-11-6-4-5-7-12(11)18-3/h4-7H,8H2,1-3H3,(H,15,16)
InChIKeyVDGCRTGHEWIBAL-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.27
Rot. Bonds5

About 1-[2-[(2-methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-[(2-methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 2443329) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[2-[(2-methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(2-methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID2443329
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-[2-[(2-methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccccc1CNc1nc(C)c(C(C)=O)s1
InChIInChI=1S/C14H16N2O2S/c1-9-13(10(2)17)19-14(16-9)15-8-11-6-4-5-7-12(11)18-3/h4-7H,8H2,1-3H3,(H,15,16)
InChIKeyVDGCRTGHEWIBAL-UHFFFAOYSA-N
XLogP3.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[(2-methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone (CID 2443329) is 1-[2-[(2-methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(2-methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(2-methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone is COc1ccccc1CNc1nc(C)c(C(C)=O)s1.
What is the InChIKey of 1-[2-[(2-methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is VDGCRTGHEWIBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-13(10(2)17)19-14(16-9)15-8-11-6-4-5-7-12(11)18-3/h4-7H,8H2,1-3H3,(H,15,16).
What are the key properties of 1-[2-[(2-methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[(2-methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 276.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 2443329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).