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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Related Compounds

2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058750
2-acetamido-4-methyl-1,3-thiazole-5-sulfonic acid;hydrochloride
CID 174820406
N-[5-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 82161324
methyl 2-(acetylcarbamothioylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 17100024
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
N-[4-methyl-5-(5-methylsulfonylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 143638089
N-[4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 46265245
2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 24939056
2-acetamido-1,3-thiazole-5-sulfinate
CID 90750741
N-[5-(2-aminooxyethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 87281931
diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate
CID 20788327
N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 861899

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).