methanesulfonic acid;1,3-thiazole-5-carboxamide

C5H8N2O4S2 — CID 174614259

IUPACmethanesulfonic acid;1,3-thiazole-5-carboxamide
SMILESCS(=O)(=O)O.NC(=O)c1cncs1
InChIInChI=1S/C4H4N2OS.CH4O3S/c5-4(7)3-1-6-2-8-3;1-5(2,3)4/h1-2H,(H2,5,7);1H3,(H,2,3,4)
InChIKeyMKQOYMLGLYQSTC-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.25
Rot. Bonds1

About methanesulfonic acid;1,3-thiazole-5-carboxamide

methanesulfonic acid;1,3-thiazole-5-carboxamide (PubChem CID 174614259) has the molecular formula C5H8N2O4S2 and a molecular weight of 224.26 g/mol. Its IUPAC name is methanesulfonic acid;1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Namemethanesulfonic acid;1,3-thiazole-5-carboxamide
PubChem CID174614259
Molecular FormulaC5H8N2O4S2
Molecular Weight224.26 g/mol
Exact Mass223.99
IUPAC Namemethanesulfonic acid;1,3-thiazole-5-carboxamide
SMILESCS(=O)(=O)O.NC(=O)c1cncs1
InChIInChI=1S/C4H4N2OS.CH4O3S/c5-4(7)3-1-6-2-8-3;1-5(2,3)4/h1-2H,(H2,5,7);1H3,(H,2,3,4)
InChIKeyMKQOYMLGLYQSTC-UHFFFAOYSA-N
XLogP-0.25
TPSA110.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1,3-thiazole-5-carboxamide;hydrobromide
CID 164945589
N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 23525711
lithium 1,3-thiazole-5-carboxylate
CID 67211399
N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 139226744
1-methyl-1-(1,3-thiazole-5-carbonylamino)urea
CID 130710603
carbamoyl 1,3-thiazole-5-carboxylate
CID 175264955
1-(1,3-thiazol-5-yl)propan-1-one
CID 54522425
N-(2-amino-2-oxoethoxy)-1,3-thiazole-5-carboxamide
CID 103901233
N-butan-2-yl-1,3-thiazole-5-carboxamide
CID 110848421
1,3-thiazole-5-carbothiohydrazide
CID 88657254
N-(2-aminoethyl)-1,3-thiazole-5-carboxamide
CID 83617604
N'-hydroxy-1,3-thiazole-5-carboximidamide
CID 55281090

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;1,3-thiazole-5-carboxamide?
The IUPAC name of methanesulfonic acid;1,3-thiazole-5-carboxamide (CID 174614259) is methanesulfonic acid;1,3-thiazole-5-carboxamide.
What is the SMILES notation for methanesulfonic acid;1,3-thiazole-5-carboxamide?
The canonical SMILES for methanesulfonic acid;1,3-thiazole-5-carboxamide is CS(=O)(=O)O.NC(=O)c1cncs1.
What is the InChIKey of methanesulfonic acid;1,3-thiazole-5-carboxamide?
The InChIKey is MKQOYMLGLYQSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2OS.CH4O3S/c5-4(7)3-1-6-2-8-3;1-5(2,3)4/h1-2H,(H2,5,7);1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;1,3-thiazole-5-carboxamide?
methanesulfonic acid;1,3-thiazole-5-carboxamide has a molecular weight of 224.26 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;1,3-thiazole-5-carboxamide is sourced from PubChem (CID 174614259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).