sodium 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate

C11H15N2NaO4S — CID 75481763

IUPACsodium 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate
SMILESCC(C)(C)OC(=O)NCCc1nc(C(=O)[O-])cs1.[Na+]
InChIInChI=1S/C11H16N2O4S.Na/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);/q;+1/p-1
InChIKeyCIBGZFFGDSHERW-UHFFFAOYSA-M
MW294.31 g/mol
LogP-2.42
Rot. Bonds4

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

sodium 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate (PubChem CID 75481763) has the molecular formula C11H15N2NaO4S and a molecular weight of 294.31 g/mol. Its IUPAC name is sodium 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namesodium 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate
PubChem CID75481763
Molecular FormulaC11H15N2NaO4S
Molecular Weight294.31 g/mol
Exact Mass294.07
IUPAC Namesodium 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate
SMILESCC(C)(C)OC(=O)NCCc1nc(C(=O)[O-])cs1.[Na+]
InChIInChI=1S/C11H16N2O4S.Na/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);/q;+1/p-1
InChIKeyCIBGZFFGDSHERW-UHFFFAOYSA-M
XLogP-2.42
TPSA91.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-2.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of sodium 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate (CID 75481763) is sodium 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for sodium 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for sodium 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate is CC(C)(C)OC(=O)NCCc1nc(C(=O)[O-])cs1.[Na+].
What is the InChIKey of sodium 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate?
The InChIKey is CIBGZFFGDSHERW-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16N2O4S.Na/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);/q;+1/p-1.
What are the key properties of sodium 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate?
sodium 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate has a molecular weight of 294.31 g/mol, XLogP of -2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 75481763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).