ethane;2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide

C11H24N2O2S2 — CID 142522939

IUPACethane;2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide
SMILESCC.CC.COC(C)(C)c1ncc(S(N)=O)s1
InChIInChI=1S/C7H12N2O2S2.2C2H6/c1-7(2,11-3)6-9-4-5(12-6)13(8)10;2*1-2/h4H,8H2,1-3H3;2*1-2H3
InChIKeyXJAOEYSYRHZYBR-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.06
Rot. Bonds3

About ethane;2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide

ethane;2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide (PubChem CID 142522939) has the molecular formula C11H24N2O2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is ethane;2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide.

Molecular Properties

Compound Nameethane;2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide
PubChem CID142522939
Molecular FormulaC11H24N2O2S2
Molecular Weight280.46 g/mol
Exact Mass280.13
IUPAC Nameethane;2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide
SMILESCC.CC.COC(C)(C)c1ncc(S(N)=O)s1
InChIInChI=1S/C7H12N2O2S2.2C2H6/c1-7(2,11-3)6-9-4-5(12-6)13(8)10;2*1-2/h4H,8H2,1-3H3;2*1-2H3
InChIKeyXJAOEYSYRHZYBR-UHFFFAOYSA-N
XLogP3.06
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide 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 ethane;2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide?
The IUPAC name of ethane;2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide (CID 142522939) is ethane;2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide.
What is the SMILES notation for ethane;2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide?
The canonical SMILES for ethane;2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide is CC.CC.COC(C)(C)c1ncc(S(N)=O)s1.
What is the InChIKey of ethane;2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide?
The InChIKey is XJAOEYSYRHZYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S2.2C2H6/c1-7(2,11-3)6-9-4-5(12-6)13(8)10;2*1-2/h4H,8H2,1-3H3;2*1-2H3.
What are the key properties of ethane;2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide?
ethane;2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide has a molecular weight of 280.46 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide is sourced from PubChem (CID 142522939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).