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

C10H16N2O2S — CID 4877770

IUPAC1-[2-(1-methoxypropan-2-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOCC(C)Nc1nc(C)c(C(C)=O)s1
InChIInChI=1S/C10H16N2O2S/c1-6(5-14-4)11-10-12-7(2)9(15-10)8(3)13/h6H,5H2,1-4H3,(H,11,12)
InChIKeyXDQGEILYHRINOU-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.10
Rot. Bonds5

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

1-[2-(1-methoxypropan-2-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 4877770) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-[2-(1-methoxypropan-2-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-methoxypropan-2-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID4877770
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-[2-(1-methoxypropan-2-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOCC(C)Nc1nc(C)c(C(C)=O)s1
InChIInChI=1S/C10H16N2O2S/c1-6(5-14-4)11-10-12-7(2)9(15-10)8(3)13/h6H,5H2,1-4H3,(H,11,12)
InChIKeyXDQGEILYHRINOU-UHFFFAOYSA-N
XLogP2.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxypropan-2-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(1-methoxypropan-2-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 4877770) is 1-[2-(1-methoxypropan-2-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(1-methoxypropan-2-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(1-methoxypropan-2-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone is COCC(C)Nc1nc(C)c(C(C)=O)s1.
What is the InChIKey of 1-[2-(1-methoxypropan-2-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is XDQGEILYHRINOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-6(5-14-4)11-10-12-7(2)9(15-10)8(3)13/h6H,5H2,1-4H3,(H,11,12).
What are the key properties of 1-[2-(1-methoxypropan-2-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-(1-methoxypropan-2-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 228.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxypropan-2-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 4877770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).