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

C11H16N2O4S — CID 67396009

IUPAC2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1
InChIInChI=1S/C11H16N2O4S/c1-6(13-10(16)17-11(2,3)4)8-12-5-7(18-8)9(14)15/h5-6H,1-4H3,(H,13,16)(H,14,15)
InChIKeyICDURVYGDQEDNK-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.43
Rot. Bonds3

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

2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 67396009) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID67396009
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1
InChIInChI=1S/C11H16N2O4S/c1-6(13-10(16)17-11(2,3)4)8-12-5-7(18-8)9(14)15/h5-6H,1-4H3,(H,13,16)(H,14,15)
InChIKeyICDURVYGDQEDNK-UHFFFAOYSA-N
XLogP2.43
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid (CID 67396009) is 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid is CC(NC(=O)OC(C)(C)C)c1ncc(C(=O)O)s1.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is ICDURVYGDQEDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-6(13-10(16)17-11(2,3)4)8-12-5-7(18-8)9(14)15/h5-6H,1-4H3,(H,13,16)(H,14,15).
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid?
2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 2.43, 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]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 67396009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).