2-[2-(tert-butylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid

C11H18N2O4S2 — CID 138701073

IUPAC2-[2-(tert-butylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1csc(NS(=O)(=O)C(C)(C)C)n1
InChIInChI=1S/C11H18N2O4S2/c1-10(2,3)19(16,17)13-9-12-7(6-18-9)11(4,5)8(14)15/h6H,1-5H3,(H,12,13)(H,14,15)
InChIKeyCKDWTHHSBALWEK-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.05
Rot. Bonds4

About 2-[2-(tert-butylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid

2-[2-(tert-butylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid (PubChem CID 138701073) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[2-(tert-butylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(tert-butylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid
PubChem CID138701073
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Name2-[2-(tert-butylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1csc(NS(=O)(=O)C(C)(C)C)n1
InChIInChI=1S/C11H18N2O4S2/c1-10(2,3)19(16,17)13-9-12-7(6-18-9)11(4,5)8(14)15/h6H,1-5H3,(H,12,13)(H,14,15)
InChIKeyCKDWTHHSBALWEK-UHFFFAOYSA-N
XLogP2.05
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(tert-butylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid (CID 138701073) is 2-[2-(tert-butylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(tert-butylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(tert-butylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1csc(NS(=O)(=O)C(C)(C)C)n1.
What is the InChIKey of 2-[2-(tert-butylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
The InChIKey is CKDWTHHSBALWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-10(2,3)19(16,17)13-9-12-7(6-18-9)11(4,5)8(14)15/h6H,1-5H3,(H,12,13)(H,14,15).
What are the key properties of 2-[2-(tert-butylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid?
2-[2-(tert-butylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid has a molecular weight of 306.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid is sourced from PubChem (CID 138701073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).