5-[2-hydroxyethyl(hydroxymethyl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide

C8H13N3O5S2 — CID 69222822

IUPAC5-[2-hydroxyethyl(hydroxymethyl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1S(=O)(=O)N(CO)CCO
InChIInChI=1S/C8H13N3O5S2/c1-5-8(17-7(10-5)6(9)14)18(15,16)11(4-13)2-3-12/h12-13H,2-4H2,1H3,(H2,9,14)
InChIKeyKPUGYSUKNDEUPU-UHFFFAOYSA-N
MW295.34 g/mol
LogP-1.52
Rot. Bonds6

About 5-[2-hydroxyethyl(hydroxymethyl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide

5-[2-hydroxyethyl(hydroxymethyl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide (PubChem CID 69222822) has the molecular formula C8H13N3O5S2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(hydroxymethyl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[2-hydroxyethyl(hydroxymethyl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide
PubChem CID69222822
Molecular FormulaC8H13N3O5S2
Molecular Weight295.34 g/mol
Exact Mass295.03
IUPAC Name5-[2-hydroxyethyl(hydroxymethyl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1S(=O)(=O)N(CO)CCO
InChIInChI=1S/C8H13N3O5S2/c1-5-8(17-7(10-5)6(9)14)18(15,16)11(4-13)2-3-12/h12-13H,2-4H2,1H3,(H2,9,14)
InChIKeyKPUGYSUKNDEUPU-UHFFFAOYSA-N
XLogP-1.52
TPSA133.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxyethyl(hydroxymethyl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[2-hydroxyethyl(hydroxymethyl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide (CID 69222822) is 5-[2-hydroxyethyl(hydroxymethyl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[2-hydroxyethyl(hydroxymethyl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[2-hydroxyethyl(hydroxymethyl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide is Cc1nc(C(N)=O)sc1S(=O)(=O)N(CO)CCO.
What is the InChIKey of 5-[2-hydroxyethyl(hydroxymethyl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is KPUGYSUKNDEUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5S2/c1-5-8(17-7(10-5)6(9)14)18(15,16)11(4-13)2-3-12/h12-13H,2-4H2,1H3,(H2,9,14).
What are the key properties of 5-[2-hydroxyethyl(hydroxymethyl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide?
5-[2-hydroxyethyl(hydroxymethyl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of -1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(hydroxymethyl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 69222822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).