2-[(butylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C10H16N2O4S2 — CID 55249373

IUPAC2-[(butylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCCCS(=O)(=O)NCc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C10H16N2O4S2/c1-3-4-5-18(15,16)11-6-8-12-7(2)9(17-8)10(13)14/h11H,3-6H2,1-2H3,(H,13,14)
InChIKeyNBLURGCHCNGDEN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.37
Rot. Bonds7

About 2-[(butylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[(butylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 55249373) has the molecular formula C10H16N2O4S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(butylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(butylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID55249373
Molecular FormulaC10H16N2O4S2
Molecular Weight292.38 g/mol
Exact Mass292.06
IUPAC Name2-[(butylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCCCS(=O)(=O)NCc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C10H16N2O4S2/c1-3-4-5-18(15,16)11-6-8-12-7(2)9(17-8)10(13)14/h11H,3-6H2,1-2H3,(H,13,14)
InChIKeyNBLURGCHCNGDEN-UHFFFAOYSA-N
XLogP1.37
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(butylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(butylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 55249373) is 2-[(butylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(butylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(butylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is CCCCS(=O)(=O)NCc1nc(C)c(C(=O)O)s1.
What is the InChIKey of 2-[(butylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is NBLURGCHCNGDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S2/c1-3-4-5-18(15,16)11-6-8-12-7(2)9(17-8)10(13)14/h11H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[(butylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[(butylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(butylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 55249373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).