5-[methyl(4-methylpentan-2-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid

C11H18N2O4S2 — CID 113391960

IUPAC5-[methyl(4-methylpentan-2-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)CC(C)N(C)S(=O)(=O)c1scnc1C(=O)O
InChIInChI=1S/C11H18N2O4S2/c1-7(2)5-8(3)13(4)19(16,17)11-9(10(14)15)12-6-18-11/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeyWZMMVIVNXMOQOI-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.90
Rot. Bonds6

About 5-[methyl(4-methylpentan-2-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid

5-[methyl(4-methylpentan-2-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 113391960) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-[methyl(4-methylpentan-2-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(4-methylpentan-2-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID113391960
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Name5-[methyl(4-methylpentan-2-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)CC(C)N(C)S(=O)(=O)c1scnc1C(=O)O
InChIInChI=1S/C11H18N2O4S2/c1-7(2)5-8(3)13(4)19(16,17)11-9(10(14)15)12-6-18-11/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeyWZMMVIVNXMOQOI-UHFFFAOYSA-N
XLogP1.90
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61072691
5-[cyclopentyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113391916
5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107216109
5-[cyclopentylmethyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113392037
3-bromo-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 61072692
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113391925
N,4-dimethyl-N-[(2S)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
CID 94112885
N,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
CID 94112886
5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113392095
5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylic acid
CID 107215906
5-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 104617669
5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide
CID 60745358

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(4-methylpentan-2-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[methyl(4-methylpentan-2-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid (CID 113391960) is 5-[methyl(4-methylpentan-2-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[methyl(4-methylpentan-2-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[methyl(4-methylpentan-2-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid is CC(C)CC(C)N(C)S(=O)(=O)c1scnc1C(=O)O.
What is the InChIKey of 5-[methyl(4-methylpentan-2-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is WZMMVIVNXMOQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-7(2)5-8(3)13(4)19(16,17)11-9(10(14)15)12-6-18-11/h6-8H,5H2,1-4H3,(H,14,15).
What are the key properties of 5-[methyl(4-methylpentan-2-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
5-[methyl(4-methylpentan-2-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 306.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(4-methylpentan-2-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 113391960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).