1-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]ethanone

C10H16N2O2S — CID 64544241

IUPAC1-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
SMILESCOCCCN(C)c1nc(C(C)=O)cs1
InChIInChI=1S/C10H16N2O2S/c1-8(13)9-7-15-10(11-9)12(2)5-4-6-14-3/h7H,4-6H2,1-3H3
InChIKeyZYOKNZSXBBZGCY-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.82
Rot. Bonds6

About 1-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]ethanone

1-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]ethanone (PubChem CID 64544241) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
PubChem CID64544241
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
SMILESCOCCCN(C)c1nc(C(C)=O)cs1
InChIInChI=1S/C10H16N2O2S/c1-8(13)9-7-15-10(11-9)12(2)5-4-6-14-3/h7H,4-6H2,1-3H3
InChIKeyZYOKNZSXBBZGCY-UHFFFAOYSA-N
XLogP1.82
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.82
H-Bond Donors ≤ 50
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-[bis(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64543850
methyl 2-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576775
1-[2-[cyclopropyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64543634
2-[2-methoxyethyl(3-methoxypropyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568985
4-(1-aminoethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine
CID 64543577
1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone
CID 64544213
1-[2-[cyclopentylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64544442
methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040251
2-[3-methoxypropyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
CID 63009264
1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]ethanone
CID 64544424
1-[2-(4-ethyl-N-methylanilino)-1,3-thiazol-4-yl]ethanone
CID 64543825
1-[2-(2-methoxy-N-methylanilino)-1,3-thiazol-4-yl]ethanone
CID 64543031

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]ethanone (CID 64544241) is 1-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]ethanone is COCCCN(C)c1nc(C(C)=O)cs1.
What is the InChIKey of 1-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]ethanone?
The InChIKey is ZYOKNZSXBBZGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8(13)9-7-15-10(11-9)12(2)5-4-6-14-3/h7H,4-6H2,1-3H3.
What are the key properties of 1-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]ethanone?
1-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]ethanone has a molecular weight of 228.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-methoxypropyl(methyl)amino]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64544241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).