ethyl 4-[(2-methylpropan-2-yl)oxycarbamoylamino]-1,3-thiazole-5-carboxylate

C11H17N3O4S — CID 163365916

IUPACethyl 4-[(2-methylpropan-2-yl)oxycarbamoylamino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1scnc1NC(=O)NOC(C)(C)C
InChIInChI=1S/C11H17N3O4S/c1-5-17-9(15)7-8(12-6-19-7)13-10(16)14-18-11(2,3)4/h6H,5H2,1-4H3,(H2,13,14,16)
InChIKeyMCKIZOVEYFDUBD-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.17
Rot. Bonds4

About ethyl 4-[(2-methylpropan-2-yl)oxycarbamoylamino]-1,3-thiazole-5-carboxylate

ethyl 4-[(2-methylpropan-2-yl)oxycarbamoylamino]-1,3-thiazole-5-carboxylate (PubChem CID 163365916) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is ethyl 4-[(2-methylpropan-2-yl)oxycarbamoylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-methylpropan-2-yl)oxycarbamoylamino]-1,3-thiazole-5-carboxylate
PubChem CID163365916
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Nameethyl 4-[(2-methylpropan-2-yl)oxycarbamoylamino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1scnc1NC(=O)NOC(C)(C)C
InChIInChI=1S/C11H17N3O4S/c1-5-17-9(15)7-8(12-6-19-7)13-10(16)14-18-11(2,3)4/h6H,5H2,1-4H3,(H2,13,14,16)
InChIKeyMCKIZOVEYFDUBD-UHFFFAOYSA-N
XLogP2.17
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methylpropan-2-yl)oxycarbamoylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-[(2-methylpropan-2-yl)oxycarbamoylamino]-1,3-thiazole-5-carboxylate (CID 163365916) is ethyl 4-[(2-methylpropan-2-yl)oxycarbamoylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[(2-methylpropan-2-yl)oxycarbamoylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-[(2-methylpropan-2-yl)oxycarbamoylamino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1scnc1NC(=O)NOC(C)(C)C.
What is the InChIKey of ethyl 4-[(2-methylpropan-2-yl)oxycarbamoylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is MCKIZOVEYFDUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-5-17-9(15)7-8(12-6-19-7)13-10(16)14-18-11(2,3)4/h6H,5H2,1-4H3,(H2,13,14,16).
What are the key properties of ethyl 4-[(2-methylpropan-2-yl)oxycarbamoylamino]-1,3-thiazole-5-carboxylate?
ethyl 4-[(2-methylpropan-2-yl)oxycarbamoylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 287.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methylpropan-2-yl)oxycarbamoylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 163365916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).