(2Z)-2-(fluoromethoxyimino)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetic acid

C10H13FN4O5S — CID 90003776

IUPAC(2Z)-2-(fluoromethoxyimino)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)Nc1nc(/C(=N/OCF)C(=O)O)ns1
InChIInChI=1S/C10H13FN4O5S/c1-10(2,3)20-9(18)13-8-12-6(15-21-8)5(7(16)17)14-19-4-11/h4H2,1-3H3,(H,16,17)(H,12,13,15,18)/b14-5-
InChIKeyPOAWNCPXNFSEAV-RZNTYIFUSA-N
MW320.30 g/mol
LogP1.62
Rot. Bonds5

About (2Z)-2-(fluoromethoxyimino)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetic acid

(2Z)-2-(fluoromethoxyimino)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetic acid (PubChem CID 90003776) has the molecular formula C10H13FN4O5S and a molecular weight of 320.30 g/mol. Its IUPAC name is (2Z)-2-(fluoromethoxyimino)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetic acid.

Molecular Properties

Compound Name(2Z)-2-(fluoromethoxyimino)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetic acid
PubChem CID90003776
Molecular FormulaC10H13FN4O5S
Molecular Weight320.30 g/mol
Exact Mass320.06
IUPAC Name(2Z)-2-(fluoromethoxyimino)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)Nc1nc(/C(=N/OCF)C(=O)O)ns1
InChIInChI=1S/C10H13FN4O5S/c1-10(2,3)20-9(18)13-8-12-6(15-21-8)5(7(16)17)14-19-4-11/h4H2,1-3H3,(H,16,17)(H,12,13,15,18)/b14-5-
InChIKeyPOAWNCPXNFSEAV-RZNTYIFUSA-N
XLogP1.62
TPSA123.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (2Z)-2-(fluoromethoxyimino)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetic acid?
The IUPAC name of (2Z)-2-(fluoromethoxyimino)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetic acid (CID 90003776) is (2Z)-2-(fluoromethoxyimino)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetic acid.
What is the SMILES notation for (2Z)-2-(fluoromethoxyimino)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetic acid?
The canonical SMILES for (2Z)-2-(fluoromethoxyimino)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetic acid is CC(C)(C)OC(=O)Nc1nc(/C(=N/OCF)C(=O)O)ns1.
What is the InChIKey of (2Z)-2-(fluoromethoxyimino)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetic acid?
The InChIKey is POAWNCPXNFSEAV-RZNTYIFUSA-N. The full InChI is InChI=1S/C10H13FN4O5S/c1-10(2,3)20-9(18)13-8-12-6(15-21-8)5(7(16)17)14-19-4-11/h4H2,1-3H3,(H,16,17)(H,12,13,15,18)/b14-5-.
What are the key properties of (2Z)-2-(fluoromethoxyimino)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetic acid?
(2Z)-2-(fluoromethoxyimino)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetic acid has a molecular weight of 320.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(fluoromethoxyimino)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetic acid is sourced from PubChem (CID 90003776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).