1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea

C15H16FN3OS — CID 71991875

IUPAC1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
SMILESCSc1ccc(NC(=O)NCCc2ccccn2)cc1F
InChIInChI=1S/C15H16FN3OS/c1-21-14-6-5-12(10-13(14)16)19-15(20)18-9-7-11-4-2-3-8-17-11/h2-6,8,10H,7,9H2,1H3,(H2,18,19,20)
InChIKeyJRWVJSYJNDEBTJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.31
Rot. Bonds5

About 1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea

1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea (PubChem CID 71991875) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
PubChem CID71991875
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
SMILESCSc1ccc(NC(=O)NCCc2ccccn2)cc1F
InChIInChI=1S/C15H16FN3OS/c1-21-14-6-5-12(10-13(14)16)19-15(20)18-9-7-11-4-2-3-8-17-11/h2-6,8,10H,7,9H2,1H3,(H2,18,19,20)
InChIKeyJRWVJSYJNDEBTJ-UHFFFAOYSA-N
XLogP3.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 75520831
1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea
CID 75514707
1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 47032165
1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306
1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 61346268
1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea
CID 47032533
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide
CID 51164073
N'-(5-acetamido-2-fluorophenyl)-N-(2-pyridin-2-ylethyl)oxamide
CID 86995548
1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-pyridin-2-ylethyl)urea
CID 75522555
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191402
1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea
CID 60599188

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea (CID 71991875) is 1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea is CSc1ccc(NC(=O)NCCc2ccccn2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is JRWVJSYJNDEBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c1-21-14-6-5-12(10-13(14)16)19-15(20)18-9-7-11-4-2-3-8-17-11/h2-6,8,10H,7,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea?
1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 305.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 71991875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).