1-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone

C10H15NO2S — CID 82435157

IUPAC1-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone
SMILESCOCc1nc(C(C)C)c(C(C)=O)s1
InChIInChI=1S/C10H15NO2S/c1-6(2)9-10(7(3)12)14-8(11-9)5-13-4/h6H,5H2,1-4H3
InChIKeyJWVUZPYVGTUTBX-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.62
Rot. Bonds4

About 1-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone

1-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone (PubChem CID 82435157) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone
PubChem CID82435157
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name1-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone
SMILESCOCc1nc(C(C)C)c(C(C)=O)s1
InChIInChI=1S/C10H15NO2S/c1-6(2)9-10(7(3)12)14-8(11-9)5-13-4/h6H,5H2,1-4H3
InChIKeyJWVUZPYVGTUTBX-UHFFFAOYSA-N
XLogP2.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone (CID 82435157) is 1-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone is COCc1nc(C(C)C)c(C(C)=O)s1.
What is the InChIKey of 1-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone?
The InChIKey is JWVUZPYVGTUTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-6(2)9-10(7(3)12)14-8(11-9)5-13-4/h6H,5H2,1-4H3.
What are the key properties of 1-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone?
1-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone has a molecular weight of 213.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82435157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).