2-methyl-2-[2-[(1-methylcyclopropyl)sulfonylamino]-1,3-thiazol-4-yl]propanoic acid

C11H16N2O4S2 — CID 138673985

IUPAC2-methyl-2-[2-[(1-methylcyclopropyl)sulfonylamino]-1,3-thiazol-4-yl]propanoic acid
SMILESCC(C)(C(=O)O)c1csc(NS(=O)(=O)C2(C)CC2)n1
InChIInChI=1S/C11H16N2O4S2/c1-10(2,8(14)15)7-6-18-9(12-7)13-19(16,17)11(3)4-5-11/h6H,4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyYSFPJCNRSOFOAO-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.80
Rot. Bonds5

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

2-methyl-2-[2-[(1-methylcyclopropyl)sulfonylamino]-1,3-thiazol-4-yl]propanoic acid (PubChem CID 138673985) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methyl-2-[2-[(1-methylcyclopropyl)sulfonylamino]-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-[(1-methylcyclopropyl)sulfonylamino]-1,3-thiazol-4-yl]propanoic acid
PubChem CID138673985
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name2-methyl-2-[2-[(1-methylcyclopropyl)sulfonylamino]-1,3-thiazol-4-yl]propanoic acid
SMILESCC(C)(C(=O)O)c1csc(NS(=O)(=O)C2(C)CC2)n1
InChIInChI=1S/C11H16N2O4S2/c1-10(2,8(14)15)7-6-18-9(12-7)13-19(16,17)11(3)4-5-11/h6H,4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyYSFPJCNRSOFOAO-UHFFFAOYSA-N
XLogP1.80
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[2-[(1-methylcyclopropyl)sulfonylamino]-1,3-thiazol-4-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-[(1-methylcyclopropyl)sulfonylamino]-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[2-[(1-methylcyclopropyl)sulfonylamino]-1,3-thiazol-4-yl]propanoic acid (CID 138673985) is 2-methyl-2-[2-[(1-methylcyclopropyl)sulfonylamino]-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[2-[(1-methylcyclopropyl)sulfonylamino]-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[2-[(1-methylcyclopropyl)sulfonylamino]-1,3-thiazol-4-yl]propanoic acid is CC(C)(C(=O)O)c1csc(NS(=O)(=O)C2(C)CC2)n1.
What is the InChIKey of 2-methyl-2-[2-[(1-methylcyclopropyl)sulfonylamino]-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is YSFPJCNRSOFOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-10(2,8(14)15)7-6-18-9(12-7)13-19(16,17)11(3)4-5-11/h6H,4-5H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-methyl-2-[2-[(1-methylcyclopropyl)sulfonylamino]-1,3-thiazol-4-yl]propanoic acid?
2-methyl-2-[2-[(1-methylcyclopropyl)sulfonylamino]-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 304.39 g/mol, XLogP of 1.80, 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-[(1-methylcyclopropyl)sulfonylamino]-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 138673985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).