5-[(1,3-dihydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide

C9H15N3O5S2 — CID 67219155

IUPAC5-[(1,3-dihydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1S(=O)(=O)NC(C)(CO)CO
InChIInChI=1S/C9H15N3O5S2/c1-5-8(18-7(11-5)6(10)15)19(16,17)12-9(2,3-13)4-14/h12-14H,3-4H2,1-2H3,(H2,10,15)
InChIKeyJUYDGFBDAIWNPJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP-1.43
Rot. Bonds6

About 5-[(1,3-dihydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide

5-[(1,3-dihydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide (PubChem CID 67219155) has the molecular formula C9H15N3O5S2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-[(1,3-dihydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(1,3-dihydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide
PubChem CID67219155
Molecular FormulaC9H15N3O5S2
Molecular Weight309.37 g/mol
Exact Mass309.05
IUPAC Name5-[(1,3-dihydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1S(=O)(=O)NC(C)(CO)CO
InChIInChI=1S/C9H15N3O5S2/c1-5-8(18-7(11-5)6(10)15)19(16,17)12-9(2,3-13)4-14/h12-14H,3-4H2,1-2H3,(H2,10,15)
InChIKeyJUYDGFBDAIWNPJ-UHFFFAOYSA-N
XLogP-1.43
TPSA142.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dihydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[(1,3-dihydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide (CID 67219155) is 5-[(1,3-dihydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[(1,3-dihydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[(1,3-dihydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide is Cc1nc(C(N)=O)sc1S(=O)(=O)NC(C)(CO)CO.
What is the InChIKey of 5-[(1,3-dihydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is JUYDGFBDAIWNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5S2/c1-5-8(18-7(11-5)6(10)15)19(16,17)12-9(2,3-13)4-14/h12-14H,3-4H2,1-2H3,(H2,10,15).
What are the key properties of 5-[(1,3-dihydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide?
5-[(1,3-dihydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of -1.43, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dihydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 67219155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).