methyl 2-acetamido-4-methyl-1,3-thiazole-5-sulfinate

C7H10N2O3S2 — CID 54438634

IUPACmethyl 2-acetamido-4-methyl-1,3-thiazole-5-sulfinate
SMILESCOS(=O)c1sc(NC(C)=O)nc1C
InChIInChI=1S/C7H10N2O3S2/c1-4-6(14(11)12-3)13-7(8-4)9-5(2)10/h1-3H3,(H,8,9,10)
InChIKeyWMMYRHIAJSHKKD-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.08
Rot. Bonds3

About methyl 2-acetamido-4-methyl-1,3-thiazole-5-sulfinate

methyl 2-acetamido-4-methyl-1,3-thiazole-5-sulfinate (PubChem CID 54438634) has the molecular formula C7H10N2O3S2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl 2-acetamido-4-methyl-1,3-thiazole-5-sulfinate.

Molecular Properties

Compound Namemethyl 2-acetamido-4-methyl-1,3-thiazole-5-sulfinate
PubChem CID54438634
Molecular FormulaC7H10N2O3S2
Molecular Weight234.30 g/mol
Exact Mass234.01
IUPAC Namemethyl 2-acetamido-4-methyl-1,3-thiazole-5-sulfinate
SMILESCOS(=O)c1sc(NC(C)=O)nc1C
InChIInChI=1S/C7H10N2O3S2/c1-4-6(14(11)12-3)13-7(8-4)9-5(2)10/h1-3H3,(H,8,9,10)
InChIKeyWMMYRHIAJSHKKD-UHFFFAOYSA-N
XLogP1.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-4-methyl-1,3-thiazole-5-sulfinate?
The IUPAC name of methyl 2-acetamido-4-methyl-1,3-thiazole-5-sulfinate (CID 54438634) is methyl 2-acetamido-4-methyl-1,3-thiazole-5-sulfinate.
What is the SMILES notation for methyl 2-acetamido-4-methyl-1,3-thiazole-5-sulfinate?
The canonical SMILES for methyl 2-acetamido-4-methyl-1,3-thiazole-5-sulfinate is COS(=O)c1sc(NC(C)=O)nc1C.
What is the InChIKey of methyl 2-acetamido-4-methyl-1,3-thiazole-5-sulfinate?
The InChIKey is WMMYRHIAJSHKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S2/c1-4-6(14(11)12-3)13-7(8-4)9-5(2)10/h1-3H3,(H,8,9,10).
What are the key properties of methyl 2-acetamido-4-methyl-1,3-thiazole-5-sulfinate?
methyl 2-acetamido-4-methyl-1,3-thiazole-5-sulfinate has a molecular weight of 234.30 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-4-methyl-1,3-thiazole-5-sulfinate is sourced from PubChem (CID 54438634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).