4,5-dimethyl-2-[[methyl(sulfamoyl)amino]methyl]-1,3-thiazole

C7H13N3O2S2 — CID 164661711

IUPAC4,5-dimethyl-2-[[methyl(sulfamoyl)amino]methyl]-1,3-thiazole
SMILESCc1nc(CN(C)S(N)(=O)=O)sc1C
InChIInChI=1S/C7H13N3O2S2/c1-5-6(2)13-7(9-5)4-10(3)14(8,11)12/h4H2,1-3H3,(H2,8,11,12)
InChIKeyOHIWKPIMTXUKBQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.40
Rot. Bonds3

About 4,5-dimethyl-2-[[methyl(sulfamoyl)amino]methyl]-1,3-thiazole

4,5-dimethyl-2-[[methyl(sulfamoyl)amino]methyl]-1,3-thiazole (PubChem CID 164661711) has the molecular formula C7H13N3O2S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[methyl(sulfamoyl)amino]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[[methyl(sulfamoyl)amino]methyl]-1,3-thiazole
PubChem CID164661711
Molecular FormulaC7H13N3O2S2
Molecular Weight235.33 g/mol
Exact Mass235.04
IUPAC Name4,5-dimethyl-2-[[methyl(sulfamoyl)amino]methyl]-1,3-thiazole
SMILESCc1nc(CN(C)S(N)(=O)=O)sc1C
InChIInChI=1S/C7H13N3O2S2/c1-5-6(2)13-7(9-5)4-10(3)14(8,11)12/h4H2,1-3H3,(H2,8,11,12)
InChIKeyOHIWKPIMTXUKBQ-UHFFFAOYSA-N
XLogP0.40
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[[methyl(sulfamoyl)amino]methyl]-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-[[methyl(sulfamoyl)amino]methyl]-1,3-thiazole (CID 164661711) is 4,5-dimethyl-2-[[methyl(sulfamoyl)amino]methyl]-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-[[methyl(sulfamoyl)amino]methyl]-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-[[methyl(sulfamoyl)amino]methyl]-1,3-thiazole is Cc1nc(CN(C)S(N)(=O)=O)sc1C.
What is the InChIKey of 4,5-dimethyl-2-[[methyl(sulfamoyl)amino]methyl]-1,3-thiazole?
The InChIKey is OHIWKPIMTXUKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S2/c1-5-6(2)13-7(9-5)4-10(3)14(8,11)12/h4H2,1-3H3,(H2,8,11,12).
What are the key properties of 4,5-dimethyl-2-[[methyl(sulfamoyl)amino]methyl]-1,3-thiazole?
4,5-dimethyl-2-[[methyl(sulfamoyl)amino]methyl]-1,3-thiazole has a molecular weight of 235.33 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[[methyl(sulfamoyl)amino]methyl]-1,3-thiazole is sourced from PubChem (CID 164661711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).