(5-fluoro-4-formyl-1,3-thiazol-2-yl)carbamic acid

C5H3FN2O3S — CID 118097259

IUPAC(5-fluoro-4-formyl-1,3-thiazol-2-yl)carbamic acid
SMILESO=Cc1nc(NC(=O)O)sc1F
InChIInChI=1S/C5H3FN2O3S/c6-3-2(1-9)7-4(12-3)8-5(10)11/h1H,(H,7,8)(H,10,11)
InChIKeyOIJXFBSLDCSDIV-UHFFFAOYSA-N
MW190.15 g/mol
LogP1.18
Rot. Bonds2

About (5-fluoro-4-formyl-1,3-thiazol-2-yl)carbamic acid

(5-fluoro-4-formyl-1,3-thiazol-2-yl)carbamic acid (PubChem CID 118097259) has the molecular formula C5H3FN2O3S and a molecular weight of 190.15 g/mol. Its IUPAC name is (5-fluoro-4-formyl-1,3-thiazol-2-yl)carbamic acid.

Molecular Properties

Compound Name(5-fluoro-4-formyl-1,3-thiazol-2-yl)carbamic acid
PubChem CID118097259
Molecular FormulaC5H3FN2O3S
Molecular Weight190.15 g/mol
Exact Mass189.98
IUPAC Name(5-fluoro-4-formyl-1,3-thiazol-2-yl)carbamic acid
SMILESO=Cc1nc(NC(=O)O)sc1F
InChIInChI=1S/C5H3FN2O3S/c6-3-2(1-9)7-4(12-3)8-5(10)11/h1H,(H,7,8)(H,10,11)
InChIKeyOIJXFBSLDCSDIV-UHFFFAOYSA-N
XLogP1.18
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-4-formyl-1,3-thiazol-2-yl)carbamic acid?
The IUPAC name of (5-fluoro-4-formyl-1,3-thiazol-2-yl)carbamic acid (CID 118097259) is (5-fluoro-4-formyl-1,3-thiazol-2-yl)carbamic acid.
What is the SMILES notation for (5-fluoro-4-formyl-1,3-thiazol-2-yl)carbamic acid?
The canonical SMILES for (5-fluoro-4-formyl-1,3-thiazol-2-yl)carbamic acid is O=Cc1nc(NC(=O)O)sc1F.
What is the InChIKey of (5-fluoro-4-formyl-1,3-thiazol-2-yl)carbamic acid?
The InChIKey is OIJXFBSLDCSDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FN2O3S/c6-3-2(1-9)7-4(12-3)8-5(10)11/h1H,(H,7,8)(H,10,11).
What are the key properties of (5-fluoro-4-formyl-1,3-thiazol-2-yl)carbamic acid?
(5-fluoro-4-formyl-1,3-thiazol-2-yl)carbamic acid has a molecular weight of 190.15 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-4-formyl-1,3-thiazol-2-yl)carbamic acid is sourced from PubChem (CID 118097259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).