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

C11H14N4O4S2 — CID 62064786

IUPAC5-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCCn1cc(S(=O)(=O)Nc2snc(C)c2C(=O)O)nc1C
InChIInChI=1S/C11H14N4O4S2/c1-4-15-5-8(12-7(15)3)21(18,19)14-10-9(11(16)17)6(2)13-20-10/h5,14H,4H2,1-3H3,(H,16,17)
InChIKeyHSZMJJUERSAXPA-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.48
Rot. Bonds5

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

5-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 62064786) has the molecular formula C11H14N4O4S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID62064786
Molecular FormulaC11H14N4O4S2
Molecular Weight330.39 g/mol
Exact Mass330.05
IUPAC Name5-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCCn1cc(S(=O)(=O)Nc2snc(C)c2C(=O)O)nc1C
InChIInChI=1S/C11H14N4O4S2/c1-4-15-5-8(12-7(15)3)21(18,19)14-10-9(11(16)17)6(2)13-20-10/h5,14H,4H2,1-3H3,(H,16,17)
InChIKeyHSZMJJUERSAXPA-UHFFFAOYSA-N
XLogP1.48
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 62064786) is 5-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is CCn1cc(S(=O)(=O)Nc2snc(C)c2C(=O)O)nc1C.
What is the InChIKey of 5-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is HSZMJJUERSAXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S2/c1-4-15-5-8(12-7(15)3)21(18,19)14-10-9(11(16)17)6(2)13-20-10/h5,14H,4H2,1-3H3,(H,16,17).
What are the key properties of 5-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 330.39 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 62064786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).