2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoic acid

C10H16N2O4S2 — CID 138673839

IUPAC2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoic acid
SMILESCC(C)S(=O)(=O)Nc1nc(C(C)(C)C(=O)O)cs1
InChIInChI=1S/C10H16N2O4S2/c1-6(2)18(15,16)12-9-11-7(5-17-9)10(3,4)8(13)14/h5-6H,1-4H3,(H,11,12)(H,13,14)
InChIKeyQVMNPTOIGVJTPQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.66
Rot. Bonds5

About 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoic acid

2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoic acid (PubChem CID 138673839) has the molecular formula C10H16N2O4S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoic acid
PubChem CID138673839
Molecular FormulaC10H16N2O4S2
Molecular Weight292.38 g/mol
Exact Mass292.06
IUPAC Name2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoic acid
SMILESCC(C)S(=O)(=O)Nc1nc(C(C)(C)C(=O)O)cs1
InChIInChI=1S/C10H16N2O4S2/c1-6(2)18(15,16)12-9-11-7(5-17-9)10(3,4)8(13)14/h5-6H,1-4H3,(H,11,12)(H,13,14)
InChIKeyQVMNPTOIGVJTPQ-UHFFFAOYSA-N
XLogP1.66
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoic acid (CID 138673839) is 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoic acid is CC(C)S(=O)(=O)Nc1nc(C(C)(C)C(=O)O)cs1.
What is the InChIKey of 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is QVMNPTOIGVJTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S2/c1-6(2)18(15,16)12-9-11-7(5-17-9)10(3,4)8(13)14/h5-6H,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoic acid?
2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 292.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(propan-2-ylsulfonylamino)-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 138673839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).