[4-[1,1-difluoro-2-(hydroxyamino)-2-oxoethyl]-1,3-thiazol-2-yl] carbamate

C6H5F2N3O4S — CID 154161378

IUPAC[4-[1,1-difluoro-2-(hydroxyamino)-2-oxoethyl]-1,3-thiazol-2-yl] carbamate
SMILESNC(=O)Oc1nc(C(F)(F)C(=O)NO)cs1
InChIInChI=1S/C6H5F2N3O4S/c7-6(8,3(12)11-14)2-1-16-5(10-2)15-4(9)13/h1,14H,(H2,9,13)(H,11,12)
InChIKeyXFZPZZOLTOGVOH-UHFFFAOYSA-N
MW253.19 g/mol
LogP0.20
Rot. Bonds3

About [4-[1,1-difluoro-2-(hydroxyamino)-2-oxoethyl]-1,3-thiazol-2-yl] carbamate

[4-[1,1-difluoro-2-(hydroxyamino)-2-oxoethyl]-1,3-thiazol-2-yl] carbamate (PubChem CID 154161378) has the molecular formula C6H5F2N3O4S and a molecular weight of 253.19 g/mol. Its IUPAC name is [4-[1,1-difluoro-2-(hydroxyamino)-2-oxoethyl]-1,3-thiazol-2-yl] carbamate.

Molecular Properties

Compound Name[4-[1,1-difluoro-2-(hydroxyamino)-2-oxoethyl]-1,3-thiazol-2-yl] carbamate
PubChem CID154161378
Molecular FormulaC6H5F2N3O4S
Molecular Weight253.19 g/mol
Exact Mass253.00
IUPAC Name[4-[1,1-difluoro-2-(hydroxyamino)-2-oxoethyl]-1,3-thiazol-2-yl] carbamate
SMILESNC(=O)Oc1nc(C(F)(F)C(=O)NO)cs1
InChIInChI=1S/C6H5F2N3O4S/c7-6(8,3(12)11-14)2-1-16-5(10-2)15-4(9)13/h1,14H,(H2,9,13)(H,11,12)
InChIKeyXFZPZZOLTOGVOH-UHFFFAOYSA-N
XLogP0.20
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[1,1-difluoro-2-(hydroxyamino)-2-oxoethyl]-1,3-thiazol-2-yl] carbamate?
The IUPAC name of [4-[1,1-difluoro-2-(hydroxyamino)-2-oxoethyl]-1,3-thiazol-2-yl] carbamate (CID 154161378) is [4-[1,1-difluoro-2-(hydroxyamino)-2-oxoethyl]-1,3-thiazol-2-yl] carbamate.
What is the SMILES notation for [4-[1,1-difluoro-2-(hydroxyamino)-2-oxoethyl]-1,3-thiazol-2-yl] carbamate?
The canonical SMILES for [4-[1,1-difluoro-2-(hydroxyamino)-2-oxoethyl]-1,3-thiazol-2-yl] carbamate is NC(=O)Oc1nc(C(F)(F)C(=O)NO)cs1.
What is the InChIKey of [4-[1,1-difluoro-2-(hydroxyamino)-2-oxoethyl]-1,3-thiazol-2-yl] carbamate?
The InChIKey is XFZPZZOLTOGVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N3O4S/c7-6(8,3(12)11-14)2-1-16-5(10-2)15-4(9)13/h1,14H,(H2,9,13)(H,11,12).
What are the key properties of [4-[1,1-difluoro-2-(hydroxyamino)-2-oxoethyl]-1,3-thiazol-2-yl] carbamate?
[4-[1,1-difluoro-2-(hydroxyamino)-2-oxoethyl]-1,3-thiazol-2-yl] carbamate has a molecular weight of 253.19 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1,1-difluoro-2-(hydroxyamino)-2-oxoethyl]-1,3-thiazol-2-yl] carbamate is sourced from PubChem (CID 154161378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).