3-[(5-bromo-4-methyl-1,3-thiazol-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid

C8H11BrN2O5S2 — CID 122071482

IUPAC3-[(5-bromo-4-methyl-1,3-thiazol-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCc1nc(S(=O)(=O)NCC(C)(O)C(=O)O)sc1Br
InChIInChI=1S/C8H11BrN2O5S2/c1-4-5(9)17-7(11-4)18(15,16)10-3-8(2,14)6(12)13/h10,14H,3H2,1-2H3,(H,12,13)
InChIKeyYWHOZPBCBLYPHD-UHFFFAOYSA-N
MW359.22 g/mol
LogP0.33
Rot. Bonds5

About 3-[(5-bromo-4-methyl-1,3-thiazol-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid

3-[(5-bromo-4-methyl-1,3-thiazol-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 122071482) has the molecular formula C8H11BrN2O5S2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 3-[(5-bromo-4-methyl-1,3-thiazol-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(5-bromo-4-methyl-1,3-thiazol-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID122071482
Molecular FormulaC8H11BrN2O5S2
Molecular Weight359.22 g/mol
Exact Mass357.93
IUPAC Name3-[(5-bromo-4-methyl-1,3-thiazol-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCc1nc(S(=O)(=O)NCC(C)(O)C(=O)O)sc1Br
InChIInChI=1S/C8H11BrN2O5S2/c1-4-5(9)17-7(11-4)18(15,16)10-3-8(2,14)6(12)13/h10,14H,3H2,1-2H3,(H,12,13)
InChIKeyYWHOZPBCBLYPHD-UHFFFAOYSA-N
XLogP0.33
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-bromo-4-methyl-1,3-thiazol-2-yl)sulfonylamino]acetic acid
CID 122068273
3-[(5-bromo-4-methyl-1,3-thiazol-2-yl)sulfonylamino]propanoic acid
CID 122068336
3-[(3-bromo-5-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071519
3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071383
3-[(2,5-difluoro-4-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071452
3-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071454
3-[(2-bromo-5-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071549
3-[(2-bromo-3-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071531
3-(2-ethylbutylsulfonylamino)-2-hydroxy-2-methylpropanoic acid
CID 122071429
3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061079
2-hydroxy-2-methyl-3-(methylsulfamoylamino)propanoic acid
CID 114806493
3-[(2-bromo-5-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071461

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-4-methyl-1,3-thiazol-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(5-bromo-4-methyl-1,3-thiazol-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid (CID 122071482) is 3-[(5-bromo-4-methyl-1,3-thiazol-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(5-bromo-4-methyl-1,3-thiazol-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(5-bromo-4-methyl-1,3-thiazol-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid is Cc1nc(S(=O)(=O)NCC(C)(O)C(=O)O)sc1Br.
What is the InChIKey of 3-[(5-bromo-4-methyl-1,3-thiazol-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is YWHOZPBCBLYPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O5S2/c1-4-5(9)17-7(11-4)18(15,16)10-3-8(2,14)6(12)13/h10,14H,3H2,1-2H3,(H,12,13).
What are the key properties of 3-[(5-bromo-4-methyl-1,3-thiazol-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
3-[(5-bromo-4-methyl-1,3-thiazol-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 359.22 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-4-methyl-1,3-thiazol-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 122071482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).