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

C5H3F3N2O2S — CID 175536044

IUPAC[3-(trifluoromethyl)-1,2-thiazol-5-yl]carbamic acid
SMILESO=C(O)Nc1cc(C(F)(F)F)ns1
InChIInChI=1S/C5H3F3N2O2S/c6-5(7,8)2-1-3(13-10-2)9-4(11)12/h1,9H,(H,11,12)
InChIKeyWKVAOUDSQPKFRB-UHFFFAOYSA-N
MW212.15 g/mol
LogP2.25
Rot. Bonds1

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

[3-(trifluoromethyl)-1,2-thiazol-5-yl]carbamic acid (PubChem CID 175536044) has the molecular formula C5H3F3N2O2S and a molecular weight of 212.15 g/mol. Its IUPAC name is [3-(trifluoromethyl)-1,2-thiazol-5-yl]carbamic acid.

Molecular Properties

Compound Name[3-(trifluoromethyl)-1,2-thiazol-5-yl]carbamic acid
PubChem CID175536044
Molecular FormulaC5H3F3N2O2S
Molecular Weight212.15 g/mol
Exact Mass211.99
IUPAC Name[3-(trifluoromethyl)-1,2-thiazol-5-yl]carbamic acid
SMILESO=C(O)Nc1cc(C(F)(F)F)ns1
InChIInChI=1S/C5H3F3N2O2S/c6-5(7,8)2-1-3(13-10-2)9-4(11)12/h1,9H,(H,11,12)
InChIKeyWKVAOUDSQPKFRB-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-1,2-thiazol-5-yl]carbamic acid?
The IUPAC name of [3-(trifluoromethyl)-1,2-thiazol-5-yl]carbamic acid (CID 175536044) is [3-(trifluoromethyl)-1,2-thiazol-5-yl]carbamic acid.
What is the SMILES notation for [3-(trifluoromethyl)-1,2-thiazol-5-yl]carbamic acid?
The canonical SMILES for [3-(trifluoromethyl)-1,2-thiazol-5-yl]carbamic acid is O=C(O)Nc1cc(C(F)(F)F)ns1.
What is the InChIKey of [3-(trifluoromethyl)-1,2-thiazol-5-yl]carbamic acid?
The InChIKey is WKVAOUDSQPKFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O2S/c6-5(7,8)2-1-3(13-10-2)9-4(11)12/h1,9H,(H,11,12).
What are the key properties of [3-(trifluoromethyl)-1,2-thiazol-5-yl]carbamic acid?
[3-(trifluoromethyl)-1,2-thiazol-5-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 [3-(trifluoromethyl)-1,2-thiazol-5-yl]carbamic acid is sourced from PubChem (CID 175536044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).