(2-fluorophenyl)-(1,3-thiazol-5-yl)carbamic acid

C10H7FN2O2S — CID 174737764

IUPAC(2-fluorophenyl)-(1,3-thiazol-5-yl)carbamic acid
SMILESO=C(O)N(c1cncs1)c1ccccc1F
InChIInChI=1S/C10H7FN2O2S/c11-7-3-1-2-4-8(7)13(10(14)15)9-5-12-6-16-9/h1-6H,(H,14,15)
InChIKeyLSIHRNCFVQYUTN-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.10
Rot. Bonds2

About (2-fluorophenyl)-(1,3-thiazol-5-yl)carbamic acid

(2-fluorophenyl)-(1,3-thiazol-5-yl)carbamic acid (PubChem CID 174737764) has the molecular formula C10H7FN2O2S and a molecular weight of 238.24 g/mol. Its IUPAC name is (2-fluorophenyl)-(1,3-thiazol-5-yl)carbamic acid.

Molecular Properties

Compound Name(2-fluorophenyl)-(1,3-thiazol-5-yl)carbamic acid
PubChem CID174737764
Molecular FormulaC10H7FN2O2S
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Name(2-fluorophenyl)-(1,3-thiazol-5-yl)carbamic acid
SMILESO=C(O)N(c1cncs1)c1ccccc1F
InChIInChI=1S/C10H7FN2O2S/c11-7-3-1-2-4-8(7)13(10(14)15)9-5-12-6-16-9/h1-6H,(H,14,15)
InChIKeyLSIHRNCFVQYUTN-UHFFFAOYSA-N
XLogP3.10
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(1,3-thiazol-5-yl)carbamic acid?
The IUPAC name of (2-fluorophenyl)-(1,3-thiazol-5-yl)carbamic acid (CID 174737764) is (2-fluorophenyl)-(1,3-thiazol-5-yl)carbamic acid.
What is the SMILES notation for (2-fluorophenyl)-(1,3-thiazol-5-yl)carbamic acid?
The canonical SMILES for (2-fluorophenyl)-(1,3-thiazol-5-yl)carbamic acid is O=C(O)N(c1cncs1)c1ccccc1F.
What is the InChIKey of (2-fluorophenyl)-(1,3-thiazol-5-yl)carbamic acid?
The InChIKey is LSIHRNCFVQYUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2S/c11-7-3-1-2-4-8(7)13(10(14)15)9-5-12-6-16-9/h1-6H,(H,14,15).
What are the key properties of (2-fluorophenyl)-(1,3-thiazol-5-yl)carbamic acid?
(2-fluorophenyl)-(1,3-thiazol-5-yl)carbamic acid has a molecular weight of 238.24 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(1,3-thiazol-5-yl)carbamic acid is sourced from PubChem (CID 174737764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).