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

C10H15NO2S2 — CID 10399636

IUPAC2-methylsulfanyl-5-[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole
SMILESCSc1ncc([C@@]2(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/t10-/m1/s1
InChIKeyVSCNICKLBCYEQW-SNVBAGLBSA-N
MW245.37 g/mol
LogP2.86
Rot. Bonds2

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

2-methylsulfanyl-5-[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole (PubChem CID 10399636) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methylsulfanyl-5-[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-methylsulfanyl-5-[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole
PubChem CID10399636
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC Name2-methylsulfanyl-5-[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole
SMILESCSc1ncc([C@@]2(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/t10-/m1/s1
InChIKeyVSCNICKLBCYEQW-SNVBAGLBSA-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'}

Analyze 2-methylsulfanyl-5-[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole?
The IUPAC name of 2-methylsulfanyl-5-[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole (CID 10399636) is 2-methylsulfanyl-5-[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-methylsulfanyl-5-[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole?
The canonical SMILES for 2-methylsulfanyl-5-[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole is CSc1ncc([C@@]2(C)COC(C)(C)O2)s1.
What is the InChIKey of 2-methylsulfanyl-5-[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole?
The InChIKey is VSCNICKLBCYEQW-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of 2-methylsulfanyl-5-[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole?
2-methylsulfanyl-5-[(4R)-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-[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole is sourced from PubChem (CID 10399636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).