4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboximidamide

C8H13N3O3S2 — CID 82440750

IUPAC4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CS(C)(=O)=O)nc1COC
InChIInChI=1S/C8H13N3O3S2/c1-14-3-5-7(8(9)10)15-6(11-5)4-16(2,12)13/h3-4H2,1-2H3,(H3,9,10)
InChIKeyYDCCAUOQKPLYNO-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.12
Rot. Bonds5

About 4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboximidamide

4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboximidamide (PubChem CID 82440750) has the molecular formula C8H13N3O3S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboximidamide
PubChem CID82440750
Molecular FormulaC8H13N3O3S2
Molecular Weight263.34 g/mol
Exact Mass263.04
IUPAC Name4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CS(C)(=O)=O)nc1COC
InChIInChI=1S/C8H13N3O3S2/c1-14-3-5-7(8(9)10)15-6(11-5)4-16(2,12)13/h3-4H2,1-2H3,(H3,9,10)
InChIKeyYDCCAUOQKPLYNO-UHFFFAOYSA-N
XLogP0.12
TPSA106.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]ethanone
CID 82440757
4-(methoxymethyl)-2-propyl-1,3-thiazole-5-carboximidamide
CID 82440152
4-(methoxymethyl)-2-(sulfamoylmethyl)-1,3-thiazole-5-carboxylic acid
CID 114360077
2-(cyclohexylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazole-5-carboximidamide
CID 82440707
4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboximidamide
CID 82441680
4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carboximidamide
CID 82441854
4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide
CID 82440280
4-ethyl-2-propyl-1,3-thiazole-5-carboximidamide
CID 82428484
[2-(ethylsulfonylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82440762
4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide
CID 82429378
4-(2-methylpropyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboxylic acid
CID 114360459
2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazole-5-carboximidamide
CID 82426484

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboximidamide?
The IUPAC name of 4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboximidamide (CID 82440750) is 4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(CS(C)(=O)=O)nc1COC.
What is the InChIKey of 4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboximidamide?
The InChIKey is YDCCAUOQKPLYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S2/c1-14-3-5-7(8(9)10)15-6(11-5)4-16(2,12)13/h3-4H2,1-2H3,(H3,9,10).
What are the key properties of 4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboximidamide?
4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboximidamide has a molecular weight of 263.34 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82440750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).