[2-(trifluoromethyl)-1,3-thiazol-4-yl] hydrogen carbonate

C5H2F3NO3S — CID 129283998

IUPAC[2-(trifluoromethyl)-1,3-thiazol-4-yl] hydrogen carbonate
SMILESO=C(O)Oc1csc(C(F)(F)F)n1
InChIInChI=1S/C5H2F3NO3S/c6-5(7,8)3-9-2(1-13-3)12-4(10)11/h1H,(H,10,11)
InChIKeyDNUOEKGAVYPIOH-UHFFFAOYSA-N
MW213.14 g/mol
LogP2.22
Rot. Bonds1

About [2-(trifluoromethyl)-1,3-thiazol-4-yl] hydrogen carbonate

[2-(trifluoromethyl)-1,3-thiazol-4-yl] hydrogen carbonate (PubChem CID 129283998) has the molecular formula C5H2F3NO3S and a molecular weight of 213.14 g/mol. Its IUPAC name is [2-(trifluoromethyl)-1,3-thiazol-4-yl] hydrogen carbonate.

Molecular Properties

Compound Name[2-(trifluoromethyl)-1,3-thiazol-4-yl] hydrogen carbonate
PubChem CID129283998
Molecular FormulaC5H2F3NO3S
Molecular Weight213.14 g/mol
Exact Mass212.97
IUPAC Name[2-(trifluoromethyl)-1,3-thiazol-4-yl] hydrogen carbonate
SMILESO=C(O)Oc1csc(C(F)(F)F)n1
InChIInChI=1S/C5H2F3NO3S/c6-5(7,8)3-9-2(1-13-3)12-4(10)11/h1H,(H,10,11)
InChIKeyDNUOEKGAVYPIOH-UHFFFAOYSA-N
XLogP2.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-1,3-thiazol-4-yl] hydrogen carbonate?
The IUPAC name of [2-(trifluoromethyl)-1,3-thiazol-4-yl] hydrogen carbonate (CID 129283998) is [2-(trifluoromethyl)-1,3-thiazol-4-yl] hydrogen carbonate.
What is the SMILES notation for [2-(trifluoromethyl)-1,3-thiazol-4-yl] hydrogen carbonate?
The canonical SMILES for [2-(trifluoromethyl)-1,3-thiazol-4-yl] hydrogen carbonate is O=C(O)Oc1csc(C(F)(F)F)n1.
What is the InChIKey of [2-(trifluoromethyl)-1,3-thiazol-4-yl] hydrogen carbonate?
The InChIKey is DNUOEKGAVYPIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3NO3S/c6-5(7,8)3-9-2(1-13-3)12-4(10)11/h1H,(H,10,11).
What are the key properties of [2-(trifluoromethyl)-1,3-thiazol-4-yl] hydrogen carbonate?
[2-(trifluoromethyl)-1,3-thiazol-4-yl] hydrogen carbonate has a molecular weight of 213.14 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-1,3-thiazol-4-yl] hydrogen carbonate is sourced from PubChem (CID 129283998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).