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

C11H16N2O4S — CID 15046418

IUPAC2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCc1nc(C(=O)O)cs1
InChIInChI=1S/C11H16N2O4S/c1-11(2,3)17-10(16)12-5-4-8-13-7(6-18-8)9(14)15/h6H,4-5H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyVMAUFWNXIMPXPN-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.91
Rot. Bonds4

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

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 15046418) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID15046418
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCc1nc(C(=O)O)cs1
InChIInChI=1S/C11H16N2O4S/c1-11(2,3)17-10(16)12-5-4-8-13-7(6-18-8)9(14)15/h6H,4-5H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyVMAUFWNXIMPXPN-UHFFFAOYSA-N
XLogP1.91
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 15046418) is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid is CC(C)(C)OC(=O)NCCc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is VMAUFWNXIMPXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-11(2,3)17-10(16)12-5-4-8-13-7(6-18-8)9(14)15/h6H,4-5H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 15046418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).