1-[2-(methoxymethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one

C9H13NO2S — CID 171593900

IUPAC1-[2-(methoxymethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one
SMILESCOCc1ncc(C(=O)C(C)C)s1
InChIInChI=1S/C9H13NO2S/c1-6(2)9(11)7-4-10-8(13-7)5-12-3/h4,6H,5H2,1-3H3
InChIKeySOINPQDXTLRTSI-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.13
Rot. Bonds4

About 1-[2-(methoxymethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one

1-[2-(methoxymethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one (PubChem CID 171593900) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(methoxymethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one
PubChem CID171593900
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name1-[2-(methoxymethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one
SMILESCOCc1ncc(C(=O)C(C)C)s1
InChIInChI=1S/C9H13NO2S/c1-6(2)9(11)7-4-10-8(13-7)5-12-3/h4,6H,5H2,1-3H3
InChIKeySOINPQDXTLRTSI-UHFFFAOYSA-N
XLogP2.13
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-(methoxymethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one (CID 171593900) is 1-[2-(methoxymethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(methoxymethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(methoxymethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one is COCc1ncc(C(=O)C(C)C)s1.
What is the InChIKey of 1-[2-(methoxymethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one?
The InChIKey is SOINPQDXTLRTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6(2)9(11)7-4-10-8(13-7)5-12-3/h4,6H,5H2,1-3H3.
What are the key properties of 1-[2-(methoxymethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one?
1-[2-(methoxymethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one has a molecular weight of 199.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one is sourced from PubChem (CID 171593900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).