1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)urea

C11H15FN2OS — CID 25051938

IUPAC1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)urea
SMILESO=C(NCCF)NC1CCCc2sccc21
InChIInChI=1S/C11H15FN2OS/c12-5-6-13-11(15)14-9-2-1-3-10-8(9)4-7-16-10/h4,7,9H,1-3,5-6H2,(H2,13,14,15)
InChIKeyHUFSXVWQFUENHM-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.39
Rot. Bonds3

About 1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)urea

1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)urea (PubChem CID 25051938) has the molecular formula C11H15FN2OS and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)urea
PubChem CID25051938
Molecular FormulaC11H15FN2OS
Molecular Weight242.32 g/mol
Exact Mass242.09
IUPAC Name1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)urea
SMILESO=C(NCCF)NC1CCCc2sccc21
InChIInChI=1S/C11H15FN2OS/c12-5-6-13-11(15)14-9-2-1-3-10-8(9)4-7-16-10/h4,7,9H,1-3,5-6H2,(H2,13,14,15)
InChIKeyHUFSXVWQFUENHM-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)urea (CID 25051938) is 1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)urea is O=C(NCCF)NC1CCCc2sccc21.
What is the InChIKey of 1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)urea?
The InChIKey is HUFSXVWQFUENHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2OS/c12-5-6-13-11(15)14-9-2-1-3-10-8(9)4-7-16-10/h4,7,9H,1-3,5-6H2,(H2,13,14,15).
What are the key properties of 1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)urea?
1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)urea has a molecular weight of 242.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)urea is sourced from PubChem (CID 25051938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).