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

C9H14N2O2S — CID 126497998

IUPAC1-[5-(2-methoxyethylamino)-2-methyl-1,3-thiazol-4-yl]ethanone
SMILESCOCCNc1sc(C)nc1C(C)=O
InChIInChI=1S/C9H14N2O2S/c1-6(12)8-9(10-4-5-13-3)14-7(2)11-8/h10H,4-5H2,1-3H3
InChIKeyFITNFSHOFIZTCB-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.71
Rot. Bonds5

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

1-[5-(2-methoxyethylamino)-2-methyl-1,3-thiazol-4-yl]ethanone (PubChem CID 126497998) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-[5-(2-methoxyethylamino)-2-methyl-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-methoxyethylamino)-2-methyl-1,3-thiazol-4-yl]ethanone
PubChem CID126497998
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-[5-(2-methoxyethylamino)-2-methyl-1,3-thiazol-4-yl]ethanone
SMILESCOCCNc1sc(C)nc1C(C)=O
InChIInChI=1S/C9H14N2O2S/c1-6(12)8-9(10-4-5-13-3)14-7(2)11-8/h10H,4-5H2,1-3H3
InChIKeyFITNFSHOFIZTCB-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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Related Compounds

1-[2-(1,1-Difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
CID 126498021
2-Propyl-4H-thiazolo[5,4-b]pyridin-7-one
CID 66808507
1-(2-Methyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497974
1-(2-Bromo-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497997
1-(2-Cyclopropyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497999
1-(2-Ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126498007
1-(2-Acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126498020
1-(2-Ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)propan-1-one
CID 167159214
1-(2-Ethynyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 167539603
2-Methyl-5-(oxetan-3-ylamino)-1,3-thiazole-4-carboxamide
CID 170575190
1-[2-[(2-Methoxyethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 65722106

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxyethylamino)-2-methyl-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-(2-methoxyethylamino)-2-methyl-1,3-thiazol-4-yl]ethanone (CID 126497998) is 1-[5-(2-methoxyethylamino)-2-methyl-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(2-methoxyethylamino)-2-methyl-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(2-methoxyethylamino)-2-methyl-1,3-thiazol-4-yl]ethanone is COCCNc1sc(C)nc1C(C)=O.
What is the InChIKey of 1-[5-(2-methoxyethylamino)-2-methyl-1,3-thiazol-4-yl]ethanone?
The InChIKey is FITNFSHOFIZTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6(12)8-9(10-4-5-13-3)14-7(2)11-8/h10H,4-5H2,1-3H3.
What are the key properties of 1-[5-(2-methoxyethylamino)-2-methyl-1,3-thiazol-4-yl]ethanone?
1-[5-(2-methoxyethylamino)-2-methyl-1,3-thiazol-4-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-[5-(2-methoxyethylamino)-2-methyl-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 126497998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).