2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C11H18N2O4S — CID 71055961

IUPAC2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)OC(C)(C)C)C1=NC(C(=O)O)CS1
InChIInChI=1S/C11H18N2O4S/c1-6(12-10(16)17-11(2,3)4)8-13-7(5-18-8)9(14)15/h6-7H,5H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyKVHJBKWQBSLGOS-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.50
Rot. Bonds3

About 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 71055961) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID71055961
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)OC(C)(C)C)C1=NC(C(=O)O)CS1
InChIInChI=1S/C11H18N2O4S/c1-6(12-10(16)17-11(2,3)4)8-13-7(5-18-8)9(14)15/h6-7H,5H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyKVHJBKWQBSLGOS-UHFFFAOYSA-N
XLogP1.50
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylic 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-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 71055961) is 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid is CC(NC(=O)OC(C)(C)C)C1=NC(C(=O)O)CS1.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is KVHJBKWQBSLGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-6(12-10(16)17-11(2,3)4)8-13-7(5-18-8)9(14)15/h6-7H,5H2,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 274.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 71055961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).