1-thiophen-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]urea

C11H8F3N3OS — CID 2814320

IUPAC1-thiophen-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)Nc1cccs1
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)7-3-4-8(15-6-7)16-10(18)17-9-2-1-5-19-9/h1-6H,(H2,15,16,17,18)
InChIKeyMQKZYWJFTZNVSC-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.81
Rot. Bonds2

About 1-thiophen-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]urea

1-thiophen-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]urea (PubChem CID 2814320) has the molecular formula C11H8F3N3OS and a molecular weight of 287.27 g/mol. Its IUPAC name is 1-thiophen-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-thiophen-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]urea
PubChem CID2814320
Molecular FormulaC11H8F3N3OS
Molecular Weight287.27 g/mol
Exact Mass287.03
IUPAC Name1-thiophen-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)Nc1cccs1
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)7-3-4-8(15-6-7)16-10(18)17-9-2-1-5-19-9/h1-6H,(H2,15,16,17,18)
InChIKeyMQKZYWJFTZNVSC-UHFFFAOYSA-N
XLogP3.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]urea?
The IUPAC name of 1-thiophen-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]urea (CID 2814320) is 1-thiophen-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-thiophen-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]urea?
The canonical SMILES for 1-thiophen-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]urea is O=C(Nc1ccc(C(F)(F)F)cn1)Nc1cccs1.
What is the InChIKey of 1-thiophen-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]urea?
The InChIKey is MQKZYWJFTZNVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS/c12-11(13,14)7-3-4-8(15-6-7)16-10(18)17-9-2-1-5-19-9/h1-6H,(H2,15,16,17,18).
What are the key properties of 1-thiophen-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]urea?
1-thiophen-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]urea has a molecular weight of 287.27 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]urea is sourced from PubChem (CID 2814320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).