2-(2,2-diethoxyethylsulfanyl)-4,5-dimethyl-1,3-thiazole

C11H19NO2S2 — CID 121223328

IUPAC2-(2,2-diethoxyethylsulfanyl)-4,5-dimethyl-1,3-thiazole
SMILESCCOC(CSc1nc(C)c(C)s1)OCC
InChIInChI=1S/C11H19NO2S2/c1-5-13-10(14-6-2)7-15-11-12-8(3)9(4)16-11/h10H,5-7H2,1-4H3
InChIKeyRUJUNSXFULEMAH-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.25
Rot. Bonds7

About 2-(2,2-diethoxyethylsulfanyl)-4,5-dimethyl-1,3-thiazole

2-(2,2-diethoxyethylsulfanyl)-4,5-dimethyl-1,3-thiazole (PubChem CID 121223328) has the molecular formula C11H19NO2S2 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(2,2-diethoxyethylsulfanyl)-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2,2-diethoxyethylsulfanyl)-4,5-dimethyl-1,3-thiazole
PubChem CID121223328
Molecular FormulaC11H19NO2S2
Molecular Weight261.41 g/mol
Exact Mass261.09
IUPAC Name2-(2,2-diethoxyethylsulfanyl)-4,5-dimethyl-1,3-thiazole
SMILESCCOC(CSc1nc(C)c(C)s1)OCC
InChIInChI=1S/C11H19NO2S2/c1-5-13-10(14-6-2)7-15-11-12-8(3)9(4)16-11/h10H,5-7H2,1-4H3
InChIKeyRUJUNSXFULEMAH-UHFFFAOYSA-N
XLogP3.25
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.25
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 2-(2,2-diethoxyethylsulfanyl)-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-(2,2-diethoxyethylsulfanyl)-4,5-dimethyl-1,3-thiazole (CID 121223328) is 2-(2,2-diethoxyethylsulfanyl)-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-(2,2-diethoxyethylsulfanyl)-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-(2,2-diethoxyethylsulfanyl)-4,5-dimethyl-1,3-thiazole is CCOC(CSc1nc(C)c(C)s1)OCC.
What is the InChIKey of 2-(2,2-diethoxyethylsulfanyl)-4,5-dimethyl-1,3-thiazole?
The InChIKey is RUJUNSXFULEMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S2/c1-5-13-10(14-6-2)7-15-11-12-8(3)9(4)16-11/h10H,5-7H2,1-4H3.
What are the key properties of 2-(2,2-diethoxyethylsulfanyl)-4,5-dimethyl-1,3-thiazole?
2-(2,2-diethoxyethylsulfanyl)-4,5-dimethyl-1,3-thiazole has a molecular weight of 261.41 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethylsulfanyl)-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 121223328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).