[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid

C5H3F3N2O2S — CID 87574884

IUPAC[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C5H3F3N2O2S/c6-5(7,8)2-1-9-3(13-2)10-4(11)12/h1H,(H,9,10)(H,11,12)
InChIKeyFSLNQKMZRPAYTC-UHFFFAOYSA-N
MW212.15 g/mol
LogP2.25
Rot. Bonds1

About [5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid

[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid (PubChem CID 87574884) has the molecular formula C5H3F3N2O2S and a molecular weight of 212.15 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid
PubChem CID87574884
Molecular FormulaC5H3F3N2O2S
Molecular Weight212.15 g/mol
Exact Mass211.99
IUPAC Name[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C5H3F3N2O2S/c6-5(7,8)2-1-9-3(13-2)10-4(11)12/h1H,(H,9,10)(H,11,12)
InChIKeyFSLNQKMZRPAYTC-UHFFFAOYSA-N
XLogP2.25
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.15
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid (CID 87574884) is [5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid is O=C(O)Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of [5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is FSLNQKMZRPAYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O2S/c6-5(7,8)2-1-9-3(13-2)10-4(11)12/h1H,(H,9,10)(H,11,12).
What are the key properties of [5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid?
[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 212.15 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 87574884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).