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

C5H4F3N3OS — CID 126601236

IUPAC[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESNC(=O)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C5H4F3N3OS/c6-5(7,8)2-1-10-4(13-2)11-3(9)12/h1H,(H3,9,10,11,12)
InChIKeySYYMOESGGSREKF-UHFFFAOYSA-N
MW211.17 g/mol
LogP1.65
Rot. Bonds1

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

[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea (PubChem CID 126601236) has the molecular formula C5H4F3N3OS and a molecular weight of 211.17 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
PubChem CID126601236
Molecular FormulaC5H4F3N3OS
Molecular Weight211.17 g/mol
Exact Mass211.00
IUPAC Name[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESNC(=O)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C5H4F3N3OS/c6-5(7,8)2-1-10-4(13-2)11-3(9)12/h1H,(H3,9,10,11,12)
InChIKeySYYMOESGGSREKF-UHFFFAOYSA-N
XLogP1.65
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.65
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]urea?
The IUPAC name of [5-(trifluoromethyl)-1,3-thiazol-2-yl]urea (CID 126601236) is [5-(trifluoromethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for [5-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for [5-(trifluoromethyl)-1,3-thiazol-2-yl]urea is NC(=O)Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of [5-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is SYYMOESGGSREKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3OS/c6-5(7,8)2-1-10-4(13-2)11-3(9)12/h1H,(H3,9,10,11,12).
What are the key properties of [5-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 211.17 g/mol, XLogP of 1.65, 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]urea is sourced from PubChem (CID 126601236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).