[5-(4-fluorophenyl)-1,3-thiazol-4-yl]carbamic acid

C10H7FN2O2S — CID 68594954

IUPAC[5-(4-fluorophenyl)-1,3-thiazol-4-yl]carbamic acid
SMILESO=C(O)Nc1ncsc1-c1ccc(F)cc1
InChIInChI=1S/C10H7FN2O2S/c11-7-3-1-6(2-4-7)8-9(12-5-16-8)13-10(14)15/h1-5,13H,(H,14,15)
InChIKeyNXPTWBVOQXQJOJ-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.04
Rot. Bonds2

About [5-(4-fluorophenyl)-1,3-thiazol-4-yl]carbamic acid

[5-(4-fluorophenyl)-1,3-thiazol-4-yl]carbamic acid (PubChem CID 68594954) has the molecular formula C10H7FN2O2S and a molecular weight of 238.24 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,3-thiazol-4-yl]carbamic acid.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,3-thiazol-4-yl]carbamic acid
PubChem CID68594954
Molecular FormulaC10H7FN2O2S
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Name[5-(4-fluorophenyl)-1,3-thiazol-4-yl]carbamic acid
SMILESO=C(O)Nc1ncsc1-c1ccc(F)cc1
InChIInChI=1S/C10H7FN2O2S/c11-7-3-1-6(2-4-7)8-9(12-5-16-8)13-10(14)15/h1-5,13H,(H,14,15)
InChIKeyNXPTWBVOQXQJOJ-UHFFFAOYSA-N
XLogP3.04
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,3-thiazol-4-yl]carbamic acid?
The IUPAC name of [5-(4-fluorophenyl)-1,3-thiazol-4-yl]carbamic acid (CID 68594954) is [5-(4-fluorophenyl)-1,3-thiazol-4-yl]carbamic acid.
What is the SMILES notation for [5-(4-fluorophenyl)-1,3-thiazol-4-yl]carbamic acid?
The canonical SMILES for [5-(4-fluorophenyl)-1,3-thiazol-4-yl]carbamic acid is O=C(O)Nc1ncsc1-c1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-1,3-thiazol-4-yl]carbamic acid?
The InChIKey is NXPTWBVOQXQJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2S/c11-7-3-1-6(2-4-7)8-9(12-5-16-8)13-10(14)15/h1-5,13H,(H,14,15).
What are the key properties of [5-(4-fluorophenyl)-1,3-thiazol-4-yl]carbamic acid?
[5-(4-fluorophenyl)-1,3-thiazol-4-yl]carbamic acid has a molecular weight of 238.24 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,3-thiazol-4-yl]carbamic acid is sourced from PubChem (CID 68594954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).