[5-fluoro-4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamic acid

C7H10FN3O3S — CID 118097239

IUPAC[5-fluoro-4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamic acid
SMILESCON(C)Cc1nc(NC(=O)O)sc1F
InChIInChI=1S/C7H10FN3O3S/c1-11(14-2)3-4-5(8)15-6(9-4)10-7(12)13/h3H2,1-2H3,(H,9,10)(H,12,13)
InChIKeyKTFXZZIEHODACS-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.37
Rot. Bonds4

About [5-fluoro-4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamic acid

[5-fluoro-4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamic acid (PubChem CID 118097239) has the molecular formula C7H10FN3O3S and a molecular weight of 235.24 g/mol. Its IUPAC name is [5-fluoro-4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-fluoro-4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamic acid
PubChem CID118097239
Molecular FormulaC7H10FN3O3S
Molecular Weight235.24 g/mol
Exact Mass235.04
IUPAC Name[5-fluoro-4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamic acid
SMILESCON(C)Cc1nc(NC(=O)O)sc1F
InChIInChI=1S/C7H10FN3O3S/c1-11(14-2)3-4-5(8)15-6(9-4)10-7(12)13/h3H2,1-2H3,(H,9,10)(H,12,13)
InChIKeyKTFXZZIEHODACS-UHFFFAOYSA-N
XLogP1.37
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [5-fluoro-4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [5-fluoro-4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamic acid (CID 118097239) is [5-fluoro-4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [5-fluoro-4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [5-fluoro-4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamic acid is CON(C)Cc1nc(NC(=O)O)sc1F.
What is the InChIKey of [5-fluoro-4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is KTFXZZIEHODACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O3S/c1-11(14-2)3-4-5(8)15-6(9-4)10-7(12)13/h3H2,1-2H3,(H,9,10)(H,12,13).
What are the key properties of [5-fluoro-4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamic acid?
[5-fluoro-4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 235.24 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 118097239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).