2-(1,1-dimethoxyethyl)-1,3-thiazole

C7H11NO2S — CID 11073980

IUPAC2-(1,1-dimethoxyethyl)-1,3-thiazole
SMILESCOC(C)(OC)c1nccs1
InChIInChI=1S/C7H11NO2S/c1-7(9-2,10-3)6-8-4-5-11-6/h4-5H,1-3H3
InChIKeyPEICOESQHKFTRG-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.61
Rot. Bonds3

About 2-(1,1-dimethoxyethyl)-1,3-thiazole

2-(1,1-dimethoxyethyl)-1,3-thiazole (PubChem CID 11073980) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-(1,1-dimethoxyethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1,1-dimethoxyethyl)-1,3-thiazole
PubChem CID11073980
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name2-(1,1-dimethoxyethyl)-1,3-thiazole
SMILESCOC(C)(OC)c1nccs1
InChIInChI=1S/C7H11NO2S/c1-7(9-2,10-3)6-8-4-5-11-6/h4-5H,1-3H3
InChIKeyPEICOESQHKFTRG-UHFFFAOYSA-N
XLogP1.61
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dimethoxyethyl)-1,3-thiazole?
The IUPAC name of 2-(1,1-dimethoxyethyl)-1,3-thiazole (CID 11073980) is 2-(1,1-dimethoxyethyl)-1,3-thiazole.
What is the SMILES notation for 2-(1,1-dimethoxyethyl)-1,3-thiazole?
The canonical SMILES for 2-(1,1-dimethoxyethyl)-1,3-thiazole is COC(C)(OC)c1nccs1.
What is the InChIKey of 2-(1,1-dimethoxyethyl)-1,3-thiazole?
The InChIKey is PEICOESQHKFTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-7(9-2,10-3)6-8-4-5-11-6/h4-5H,1-3H3.
What are the key properties of 2-(1,1-dimethoxyethyl)-1,3-thiazole?
2-(1,1-dimethoxyethyl)-1,3-thiazole has a molecular weight of 173.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dimethoxyethyl)-1,3-thiazole is sourced from PubChem (CID 11073980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).