5-(1,3-dihydroxypropan-2-ylsulfamoyl)-4-methyl-1,3-thiazole-2-carboxamide

C8H13N3O5S2 — CID 67218687

IUPAC5-(1,3-dihydroxypropan-2-ylsulfamoyl)-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1S(=O)(=O)NC(CO)CO
InChIInChI=1S/C8H13N3O5S2/c1-4-8(17-7(10-4)6(9)14)18(15,16)11-5(2-12)3-13/h5,11-13H,2-3H2,1H3,(H2,9,14)
InChIKeyVTFLJNVYSYCJEL-UHFFFAOYSA-N
MW295.34 g/mol
LogP-1.82
Rot. Bonds6

About 5-(1,3-dihydroxypropan-2-ylsulfamoyl)-4-methyl-1,3-thiazole-2-carboxamide

5-(1,3-dihydroxypropan-2-ylsulfamoyl)-4-methyl-1,3-thiazole-2-carboxamide (PubChem CID 67218687) has the molecular formula C8H13N3O5S2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-(1,3-dihydroxypropan-2-ylsulfamoyl)-4-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-dihydroxypropan-2-ylsulfamoyl)-4-methyl-1,3-thiazole-2-carboxamide
PubChem CID67218687
Molecular FormulaC8H13N3O5S2
Molecular Weight295.34 g/mol
Exact Mass295.03
IUPAC Name5-(1,3-dihydroxypropan-2-ylsulfamoyl)-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1S(=O)(=O)NC(CO)CO
InChIInChI=1S/C8H13N3O5S2/c1-4-8(17-7(10-4)6(9)14)18(15,16)11-5(2-12)3-13/h5,11-13H,2-3H2,1H3,(H2,9,14)
InChIKeyVTFLJNVYSYCJEL-UHFFFAOYSA-N
XLogP-1.82
TPSA142.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-1.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-Hydroxyethylsulfamoyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 67218266
5-[2-(Dimethylamino)ethylsulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 67218822
5-[(1-Hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 67218979
5-(3-Hydroxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole-2-carboxamide
CID 67218989
5-[2-Hydroxyethyl(methyl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 67218993
5-[(1,3-Dihydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 67219155
5-[Bis(2-hydroxyethyl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 69217030
5-[2-Hydroxyethyl(hydroxymethyl)sulfamoyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 69222822
N-(2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 170974434
2-[(2-Chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]acetamide
CID 61042555
2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 65314751
2-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 105651792

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dihydroxypropan-2-ylsulfamoyl)-4-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(1,3-dihydroxypropan-2-ylsulfamoyl)-4-methyl-1,3-thiazole-2-carboxamide (CID 67218687) is 5-(1,3-dihydroxypropan-2-ylsulfamoyl)-4-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(1,3-dihydroxypropan-2-ylsulfamoyl)-4-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(1,3-dihydroxypropan-2-ylsulfamoyl)-4-methyl-1,3-thiazole-2-carboxamide is Cc1nc(C(N)=O)sc1S(=O)(=O)NC(CO)CO.
What is the InChIKey of 5-(1,3-dihydroxypropan-2-ylsulfamoyl)-4-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is VTFLJNVYSYCJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5S2/c1-4-8(17-7(10-4)6(9)14)18(15,16)11-5(2-12)3-13/h5,11-13H,2-3H2,1H3,(H2,9,14).
What are the key properties of 5-(1,3-dihydroxypropan-2-ylsulfamoyl)-4-methyl-1,3-thiazole-2-carboxamide?
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-4-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of -1.82, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dihydroxypropan-2-ylsulfamoyl)-4-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 67218687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).