[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl] hydrogen carbonate

C5H3F3N2O3S — CID 87241004

IUPAC[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl] hydrogen carbonate
SMILESNc1nc(C(F)(F)F)c(OC(=O)O)s1
InChIInChI=1S/C5H3F3N2O3S/c6-5(7,8)1-2(13-4(11)12)14-3(9)10-1/h(H2,9,10)(H,11,12)
InChIKeyIGIKUANCTVDJBX-UHFFFAOYSA-N
MW228.15 g/mol
LogP1.80
Rot. Bonds1

About [2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl] hydrogen carbonate

[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl] hydrogen carbonate (PubChem CID 87241004) has the molecular formula C5H3F3N2O3S and a molecular weight of 228.15 g/mol. Its IUPAC name is [2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl] hydrogen carbonate.

Molecular Properties

Compound Name[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl] hydrogen carbonate
PubChem CID87241004
Molecular FormulaC5H3F3N2O3S
Molecular Weight228.15 g/mol
Exact Mass227.98
IUPAC Name[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl] hydrogen carbonate
SMILESNc1nc(C(F)(F)F)c(OC(=O)O)s1
InChIInChI=1S/C5H3F3N2O3S/c6-5(7,8)1-2(13-4(11)12)14-3(9)10-1/h(H2,9,10)(H,11,12)
InChIKeyIGIKUANCTVDJBX-UHFFFAOYSA-N
XLogP1.80
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.15
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

prop-2-ynyl 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 20557022
2-amino-4-(trifluoromethyl)-1,3-thiazole-5-thiol
CID 143136897
2-amino-4-(trichloromethyl)-1,3-thiazole-5-carboxylic acid
CID 82225663
ethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate
CID 86669542
4-tert-butyl-1,3-thiazole-2,5-diamine
CID 82342196
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl] hydrogen carbonate
CID 67020523
[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl] thiocyanate
CID 22717672
(5-amino-1,3-thiazol-2-yl) hydrogen carbonate
CID 141363167
(4-chloro-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate
CID 67739189
dimethyl 4-(trifluoromethyl)-1,3-thiazole-2,5-dicarboxylate
CID 131859626
ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate
CID 86657667
2-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82545842

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl] hydrogen carbonate?
The IUPAC name of [2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl] hydrogen carbonate (CID 87241004) is [2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl] hydrogen carbonate.
What is the SMILES notation for [2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl] hydrogen carbonate?
The canonical SMILES for [2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl] hydrogen carbonate is Nc1nc(C(F)(F)F)c(OC(=O)O)s1.
What is the InChIKey of [2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl] hydrogen carbonate?
The InChIKey is IGIKUANCTVDJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O3S/c6-5(7,8)1-2(13-4(11)12)14-3(9)10-1/h(H2,9,10)(H,11,12).
What are the key properties of [2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl] hydrogen carbonate?
[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl] hydrogen carbonate has a molecular weight of 228.15 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl] hydrogen carbonate is sourced from PubChem (CID 87241004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).