[4-(fluoromethyl)-1,3-thiazol-2-yl]carbamic acid

C5H5FN2O2S — CID 87536540

IUPAC[4-(fluoromethyl)-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nc(CF)cs1
InChIInChI=1S/C5H5FN2O2S/c6-1-3-2-11-4(7-3)8-5(9)10/h2H,1H2,(H,7,8)(H,9,10)
InChIKeyJZSBAVBNCKVPCD-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.70
Rot. Bonds2

About [4-(fluoromethyl)-1,3-thiazol-2-yl]carbamic acid

[4-(fluoromethyl)-1,3-thiazol-2-yl]carbamic acid (PubChem CID 87536540) has the molecular formula C5H5FN2O2S and a molecular weight of 176.17 g/mol. Its IUPAC name is [4-(fluoromethyl)-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-(fluoromethyl)-1,3-thiazol-2-yl]carbamic acid
PubChem CID87536540
Molecular FormulaC5H5FN2O2S
Molecular Weight176.17 g/mol
Exact Mass176.01
IUPAC Name[4-(fluoromethyl)-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nc(CF)cs1
InChIInChI=1S/C5H5FN2O2S/c6-1-3-2-11-4(7-3)8-5(9)10/h2H,1H2,(H,7,8)(H,9,10)
InChIKeyJZSBAVBNCKVPCD-UHFFFAOYSA-N
XLogP1.70
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [4-(fluoromethyl)-1,3-thiazol-2-yl]carbamic acid (CID 87536540) is [4-(fluoromethyl)-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [4-(fluoromethyl)-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [4-(fluoromethyl)-1,3-thiazol-2-yl]carbamic acid is O=C(O)Nc1nc(CF)cs1.
What is the InChIKey of [4-(fluoromethyl)-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is JZSBAVBNCKVPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2S/c6-1-3-2-11-4(7-3)8-5(9)10/h2H,1H2,(H,7,8)(H,9,10).
What are the key properties of [4-(fluoromethyl)-1,3-thiazol-2-yl]carbamic acid?
[4-(fluoromethyl)-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 176.17 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 87536540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).