1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea

C13H18FN3OS — CID 75506436

IUPAC1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea
SMILESCCSC1CCCC1NC(=O)Nc1ccncc1F
InChIInChI=1S/C13H18FN3OS/c1-2-19-12-5-3-4-11(12)17-13(18)16-10-6-7-15-8-9(10)14/h6-8,11-12H,2-5H2,1H3,(H2,15,16,17,18)
InChIKeyRCZXWPBPGDESDA-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.02
Rot. Bonds4

About 1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea

1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea (PubChem CID 75506436) has the molecular formula C13H18FN3OS and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea
PubChem CID75506436
Molecular FormulaC13H18FN3OS
Molecular Weight283.37 g/mol
Exact Mass283.12
IUPAC Name1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea
SMILESCCSC1CCCC1NC(=O)Nc1ccncc1F
InChIInChI=1S/C13H18FN3OS/c1-2-19-12-5-3-4-11(12)17-13(18)16-10-6-7-15-8-9(10)14/h6-8,11-12H,2-5H2,1H3,(H2,15,16,17,18)
InChIKeyRCZXWPBPGDESDA-UHFFFAOYSA-N
XLogP3.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea
CID 71863043
3-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114121663
1-cyclohex-2-en-1-yl-3-(3-fluoro-4-pyridinyl)urea
CID 75506417
1-(3-fluoro-4-pyridinyl)-3-[(1S,3R)-3-methylsulfanylcyclohexyl]urea
CID 99854851
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea
CID 128993229
1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 98775732
3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine
CID 124679598
5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 71979777
N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide
CID 103727628
1-(3-fluoro-4-pyridinyl)-3-(1-methylcyclobutyl)urea
CID 75506441
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,2R)-2-ethylsulfanylcyclopentyl]urea
CID 97030065
1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-methyl-4-pyridinyl)urea
CID 97331929

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea?
The IUPAC name of 1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea (CID 75506436) is 1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea.
What is the SMILES notation for 1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea?
The canonical SMILES for 1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea is CCSC1CCCC1NC(=O)Nc1ccncc1F.
What is the InChIKey of 1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea?
The InChIKey is RCZXWPBPGDESDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3OS/c1-2-19-12-5-3-4-11(12)17-13(18)16-10-6-7-15-8-9(10)14/h6-8,11-12H,2-5H2,1H3,(H2,15,16,17,18).
What are the key properties of 1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea?
1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea has a molecular weight of 283.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea is sourced from PubChem (CID 75506436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).