1-(2-fluoroethyl)-3-(5-methylthiophen-2-yl)urea

C8H11FN2OS — CID 130636542

IUPAC1-(2-fluoroethyl)-3-(5-methylthiophen-2-yl)urea
SMILESCc1ccc(NC(=O)NCCF)s1
InChIInChI=1S/C8H11FN2OS/c1-6-2-3-7(13-6)11-8(12)10-5-4-9/h2-3H,4-5H2,1H3,(H2,10,11,12)
InChIKeyMXZBHMYRHXNTSZ-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.15
Rot. Bonds3

About 1-(2-fluoroethyl)-3-(5-methylthiophen-2-yl)urea

1-(2-fluoroethyl)-3-(5-methylthiophen-2-yl)urea (PubChem CID 130636542) has the molecular formula C8H11FN2OS and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(5-methylthiophen-2-yl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(5-methylthiophen-2-yl)urea
PubChem CID130636542
Molecular FormulaC8H11FN2OS
Molecular Weight202.25 g/mol
Exact Mass202.06
IUPAC Name1-(2-fluoroethyl)-3-(5-methylthiophen-2-yl)urea
SMILESCc1ccc(NC(=O)NCCF)s1
InChIInChI=1S/C8H11FN2OS/c1-6-2-3-7(13-6)11-8(12)10-5-4-9/h2-3H,4-5H2,1H3,(H2,10,11,12)
InChIKeyMXZBHMYRHXNTSZ-UHFFFAOYSA-N
XLogP2.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.15
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-(5-methylthiophen-2-yl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(5-methylthiophen-2-yl)urea (CID 130636542) is 1-(2-fluoroethyl)-3-(5-methylthiophen-2-yl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(5-methylthiophen-2-yl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(5-methylthiophen-2-yl)urea is Cc1ccc(NC(=O)NCCF)s1.
What is the InChIKey of 1-(2-fluoroethyl)-3-(5-methylthiophen-2-yl)urea?
The InChIKey is MXZBHMYRHXNTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2OS/c1-6-2-3-7(13-6)11-8(12)10-5-4-9/h2-3H,4-5H2,1H3,(H2,10,11,12).
What are the key properties of 1-(2-fluoroethyl)-3-(5-methylthiophen-2-yl)urea?
1-(2-fluoroethyl)-3-(5-methylthiophen-2-yl)urea has a molecular weight of 202.25 g/mol, XLogP of 2.15, 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-(5-methylthiophen-2-yl)urea is sourced from PubChem (CID 130636542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).