2-methylsulfanyl-5-(2,2,4-trimethyl-1,3-dioxolan-4-yl)-1,3-thiazole

C10H15NO2S2 — CID 18996276

IUPAC2-methylsulfanyl-5-(2,2,4-trimethyl-1,3-dioxolan-4-yl)-1,3-thiazole
SMILESCSc1ncc(C2(C)COC(C)(C)O2)s1
InChIInChI=1S/C10H15NO2S2/c1-9(2)12-6-10(3,13-9)7-5-11-8(14-4)15-7/h5H,6H2,1-4H3
InChIKeyVSCNICKLBCYEQW-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.86
Rot. Bonds2

About 2-methylsulfanyl-5-(2,2,4-trimethyl-1,3-dioxolan-4-yl)-1,3-thiazole

2-methylsulfanyl-5-(2,2,4-trimethyl-1,3-dioxolan-4-yl)-1,3-thiazole (PubChem CID 18996276) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methylsulfanyl-5-(2,2,4-trimethyl-1,3-dioxolan-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-methylsulfanyl-5-(2,2,4-trimethyl-1,3-dioxolan-4-yl)-1,3-thiazole
PubChem CID18996276
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC Name2-methylsulfanyl-5-(2,2,4-trimethyl-1,3-dioxolan-4-yl)-1,3-thiazole
SMILESCSc1ncc(C2(C)COC(C)(C)O2)s1
InChIInChI=1S/C10H15NO2S2/c1-9(2)12-6-10(3,13-9)7-5-11-8(14-4)15-7/h5H,6H2,1-4H3
InChIKeyVSCNICKLBCYEQW-UHFFFAOYSA-N
XLogP2.86
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-(2,2,4-trimethyl-1,3-dioxolan-4-yl)-1,3-thiazole?
The IUPAC name of 2-methylsulfanyl-5-(2,2,4-trimethyl-1,3-dioxolan-4-yl)-1,3-thiazole (CID 18996276) is 2-methylsulfanyl-5-(2,2,4-trimethyl-1,3-dioxolan-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-methylsulfanyl-5-(2,2,4-trimethyl-1,3-dioxolan-4-yl)-1,3-thiazole?
The canonical SMILES for 2-methylsulfanyl-5-(2,2,4-trimethyl-1,3-dioxolan-4-yl)-1,3-thiazole is CSc1ncc(C2(C)COC(C)(C)O2)s1.
What is the InChIKey of 2-methylsulfanyl-5-(2,2,4-trimethyl-1,3-dioxolan-4-yl)-1,3-thiazole?
The InChIKey is VSCNICKLBCYEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-9(2)12-6-10(3,13-9)7-5-11-8(14-4)15-7/h5H,6H2,1-4H3.
What are the key properties of 2-methylsulfanyl-5-(2,2,4-trimethyl-1,3-dioxolan-4-yl)-1,3-thiazole?
2-methylsulfanyl-5-(2,2,4-trimethyl-1,3-dioxolan-4-yl)-1,3-thiazole has a molecular weight of 245.37 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-(2,2,4-trimethyl-1,3-dioxolan-4-yl)-1,3-thiazole is sourced from PubChem (CID 18996276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).