2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C11H14N4O4S2 — CID 79369136

IUPAC2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCn1cnc(S(=O)(=O)NCc2nc(C)c(C(=O)O)s2)c1
InChIInChI=1S/C11H14N4O4S2/c1-3-15-5-9(12-6-15)21(18,19)13-4-8-14-7(2)10(20-8)11(16)17/h5-6,13H,3-4H2,1-2H3,(H,16,17)
InChIKeyXRECJXIEJBNEPR-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.84
Rot. Bonds6

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

2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 79369136) has the molecular formula C11H14N4O4S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID79369136
Molecular FormulaC11H14N4O4S2
Molecular Weight330.39 g/mol
Exact Mass330.05
IUPAC Name2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCn1cnc(S(=O)(=O)NCc2nc(C)c(C(=O)O)s2)c1
InChIInChI=1S/C11H14N4O4S2/c1-3-15-5-9(12-6-15)21(18,19)13-4-8-14-7(2)10(20-8)11(16)17/h5-6,13H,3-4H2,1-2H3,(H,16,17)
InChIKeyXRECJXIEJBNEPR-UHFFFAOYSA-N
XLogP0.84
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(1-ethylimidazol-4-yl)sulfonylamino]propanoic acid
CID 79373798
2-[[(2-fluorophenyl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628148
2-[(butylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 55249373
2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628145
4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid
CID 81066185
1-ethyl-N-phenacylimidazole-4-sulfonamide
CID 79373290
2-[(2-methoxyethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 55249184
2-[(cyclopropylmethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64987972
5-[(1-ethylimidazol-4-yl)sulfonyl-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79398082
4-methyl-2-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 63629709
2-ethyl-2-[(1-ethylimidazol-4-yl)sulfonylamino]butanoic acid
CID 79807174
2-[(cyclohexylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629344

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 79369136) is 2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is CCn1cnc(S(=O)(=O)NCc2nc(C)c(C(=O)O)s2)c1.
What is the InChIKey of 2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is XRECJXIEJBNEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S2/c1-3-15-5-9(12-6-15)21(18,19)13-4-8-14-7(2)10(20-8)11(16)17/h5-6,13H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 330.39 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 79369136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).