1-thiophen-2-yl-3-[3-(trifluoromethyl)phenyl]urea

C12H9F3N2OS — CID 2978958

IUPAC1-thiophen-2-yl-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1cccs1
InChIInChI=1S/C12H9F3N2OS/c13-12(14,15)8-3-1-4-9(7-8)16-11(18)17-10-5-2-6-19-10/h1-7H,(H2,16,17,18)
InChIKeyHAQSPGUBJSYNAG-UHFFFAOYSA-N
MW286.28 g/mol
LogP4.41
Rot. Bonds2

About 1-thiophen-2-yl-3-[3-(trifluoromethyl)phenyl]urea

1-thiophen-2-yl-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 2978958) has the molecular formula C12H9F3N2OS and a molecular weight of 286.28 g/mol. Its IUPAC name is 1-thiophen-2-yl-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-thiophen-2-yl-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID2978958
Molecular FormulaC12H9F3N2OS
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Name1-thiophen-2-yl-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1cccs1
InChIInChI=1S/C12H9F3N2OS/c13-12(14,15)8-3-1-4-9(7-8)16-11(18)17-10-5-2-6-19-10/h1-7H,(H2,16,17,18)
InChIKeyHAQSPGUBJSYNAG-UHFFFAOYSA-N
XLogP4.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-thiophen-2-yl-3-[3-(trifluoromethyl)phenyl]urea (CID 2978958) is 1-thiophen-2-yl-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-thiophen-2-yl-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-thiophen-2-yl-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccs1.
What is the InChIKey of 1-thiophen-2-yl-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is HAQSPGUBJSYNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2OS/c13-12(14,15)8-3-1-4-9(7-8)16-11(18)17-10-5-2-6-19-10/h1-7H,(H2,16,17,18).
What are the key properties of 1-thiophen-2-yl-3-[3-(trifluoromethyl)phenyl]urea?
1-thiophen-2-yl-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 286.28 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 2978958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).