[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methylcarbamic acid

C11H9FN2O2S — CID 139374970

IUPAC[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methylcarbamic acid
SMILESO=C(O)NCc1cnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C11H9FN2O2S/c12-8-3-1-7(2-4-8)10-13-5-9(17-10)6-14-11(15)16/h1-5,14H,6H2,(H,15,16)
InChIKeyIQUARFGDUBEBLR-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.72
Rot. Bonds3

About [2-(4-fluorophenyl)-1,3-thiazol-5-yl]methylcarbamic acid

[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methylcarbamic acid (PubChem CID 139374970) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-thiazol-5-yl]methylcarbamic acid.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methylcarbamic acid
PubChem CID139374970
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Name[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methylcarbamic acid
SMILESO=C(O)NCc1cnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C11H9FN2O2S/c12-8-3-1-7(2-4-8)10-13-5-9(17-10)6-14-11(15)16/h1-5,14H,6H2,(H,15,16)
InChIKeyIQUARFGDUBEBLR-UHFFFAOYSA-N
XLogP2.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-5-yl]methylcarbamic acid?
The IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-5-yl]methylcarbamic acid (CID 139374970) is [2-(4-fluorophenyl)-1,3-thiazol-5-yl]methylcarbamic acid.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-thiazol-5-yl]methylcarbamic acid?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-thiazol-5-yl]methylcarbamic acid is O=C(O)NCc1cnc(-c2ccc(F)cc2)s1.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-thiazol-5-yl]methylcarbamic acid?
The InChIKey is IQUARFGDUBEBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c12-8-3-1-7(2-4-8)10-13-5-9(17-10)6-14-11(15)16/h1-5,14H,6H2,(H,15,16).
What are the key properties of [2-(4-fluorophenyl)-1,3-thiazol-5-yl]methylcarbamic acid?
[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methylcarbamic acid has a molecular weight of 252.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-thiazol-5-yl]methylcarbamic acid is sourced from PubChem (CID 139374970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).