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

C9H14N2O2S — CID 2440370

IUPAC1-[2-(2-methoxyethylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOCCNc1nc(C)c(C(C)=O)s1
InChIInChI=1S/C9H14N2O2S/c1-6-8(7(2)12)14-9(11-6)10-4-5-13-3/h4-5H2,1-3H3,(H,10,11)
InChIKeyXDFWDVTYLDNKMS-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.71
Rot. Bonds5

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

1-[2-(2-methoxyethylamino)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 2440370) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-[2-(2-methoxyethylamino)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-methoxyethylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID2440370
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-[2-(2-methoxyethylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOCCNc1nc(C)c(C(C)=O)s1
InChIInChI=1S/C9H14N2O2S/c1-6-8(7(2)12)14-9(11-6)10-4-5-13-3/h4-5H2,1-3H3,(H,10,11)
InChIKeyXDFWDVTYLDNKMS-UHFFFAOYSA-N
XLogP1.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethylamino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(2-methoxyethylamino)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 2440370) is 1-[2-(2-methoxyethylamino)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2-methoxyethylamino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(2-methoxyethylamino)-4-methyl-1,3-thiazol-5-yl]ethanone is COCCNc1nc(C)c(C(C)=O)s1.
What is the InChIKey of 1-[2-(2-methoxyethylamino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is XDFWDVTYLDNKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6-8(7(2)12)14-9(11-6)10-4-5-13-3/h4-5H2,1-3H3,(H,10,11).
What are the key properties of 1-[2-(2-methoxyethylamino)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-(2-methoxyethylamino)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 214.29 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethylamino)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 2440370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).