4-(dimethoxymethyl)-2-(ethylsulfanylmethyl)-1,3-thiazole

C9H15NO2S2 — CID 66056149

IUPAC4-(dimethoxymethyl)-2-(ethylsulfanylmethyl)-1,3-thiazole
SMILESCCSCc1nc(C(OC)OC)cs1
InChIInChI=1S/C9H15NO2S2/c1-4-13-6-8-10-7(5-14-8)9(11-2)12-3/h5,9H,4,6H2,1-3H3
InChIKeyBQXZTFFYVAVTRT-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.69
Rot. Bonds6

About 4-(dimethoxymethyl)-2-(ethylsulfanylmethyl)-1,3-thiazole

4-(dimethoxymethyl)-2-(ethylsulfanylmethyl)-1,3-thiazole (PubChem CID 66056149) has the molecular formula C9H15NO2S2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(ethylsulfanylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(ethylsulfanylmethyl)-1,3-thiazole
PubChem CID66056149
Molecular FormulaC9H15NO2S2
Molecular Weight233.36 g/mol
Exact Mass233.05
IUPAC Name4-(dimethoxymethyl)-2-(ethylsulfanylmethyl)-1,3-thiazole
SMILESCCSCc1nc(C(OC)OC)cs1
InChIInChI=1S/C9H15NO2S2/c1-4-13-6-8-10-7(5-14-8)9(11-2)12-3/h5,9H,4,6H2,1-3H3
InChIKeyBQXZTFFYVAVTRT-UHFFFAOYSA-N
XLogP2.69
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-(dimethoxymethyl)-2-(ethylsulfanylmethyl)-1,3-thiazole?
The IUPAC name of 4-(dimethoxymethyl)-2-(ethylsulfanylmethyl)-1,3-thiazole (CID 66056149) is 4-(dimethoxymethyl)-2-(ethylsulfanylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(ethylsulfanylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(dimethoxymethyl)-2-(ethylsulfanylmethyl)-1,3-thiazole is CCSCc1nc(C(OC)OC)cs1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(ethylsulfanylmethyl)-1,3-thiazole?
The InChIKey is BQXZTFFYVAVTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S2/c1-4-13-6-8-10-7(5-14-8)9(11-2)12-3/h5,9H,4,6H2,1-3H3.
What are the key properties of 4-(dimethoxymethyl)-2-(ethylsulfanylmethyl)-1,3-thiazole?
4-(dimethoxymethyl)-2-(ethylsulfanylmethyl)-1,3-thiazole has a molecular weight of 233.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(ethylsulfanylmethyl)-1,3-thiazole is sourced from PubChem (CID 66056149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).