(2-cyclopentyloxy-6-fluorophenyl)thiourea

C12H15FN2OS — CID 169358948

IUPAC(2-cyclopentyloxy-6-fluorophenyl)thiourea
SMILESNC(=S)Nc1c(F)cccc1OC1CCCC1
InChIInChI=1S/C12H15FN2OS/c13-9-6-3-7-10(11(9)15-12(14)17)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H3,14,15,17)
InChIKeyYAQJXCGXBOKEJL-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.80
Rot. Bonds3

About (2-cyclopentyloxy-6-fluorophenyl)thiourea

(2-cyclopentyloxy-6-fluorophenyl)thiourea (PubChem CID 169358948) has the molecular formula C12H15FN2OS and a molecular weight of 254.33 g/mol. Its IUPAC name is (2-cyclopentyloxy-6-fluorophenyl)thiourea.

Molecular Properties

Compound Name(2-cyclopentyloxy-6-fluorophenyl)thiourea
PubChem CID169358948
Molecular FormulaC12H15FN2OS
Molecular Weight254.33 g/mol
Exact Mass254.09
IUPAC Name(2-cyclopentyloxy-6-fluorophenyl)thiourea
SMILESNC(=S)Nc1c(F)cccc1OC1CCCC1
InChIInChI=1S/C12H15FN2OS/c13-9-6-3-7-10(11(9)15-12(14)17)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H3,14,15,17)
InChIKeyYAQJXCGXBOKEJL-UHFFFAOYSA-N
XLogP2.80
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-cycloheptyloxy-6-fluorobenzenecarbothioamide
CID 79519678
2-(2-cyclopentyloxy-6-fluoroanilino)ethene-1,1,2-tricarbonitrile
CID 168609548
1-chloro-3-(2-cyclopentyloxy-6-fluoroanilino)propan-2-ol
CID 168639707
5-cyclopentyloxy-N-(2,6-difluorophenyl)-2-fluoro-4-methoxybenzamide
CID 22145684
2-N-(2-cyclopentyloxy-6-fluorophenyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 118436976
3-(2-cyclohexyloxy-6-fluoroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168558115
[3-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]thiourea
CID 169359391
4-cyclobutyloxy-3-fluorobenzenecarbothioamide
CID 62142563
1-cyclopentyloxy-2-fluoro-3-methylbenzene
CID 103942608
1,2-dicyclohexyloxybenzene
CID 67331328
1-cyclohexyloxy-2-fluoro-3-methylbenzene
CID 70930096
(2-fluoro-6-sulfamoylphenyl)thiourea
CID 169359323

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentyloxy-6-fluorophenyl)thiourea?
The IUPAC name of (2-cyclopentyloxy-6-fluorophenyl)thiourea (CID 169358948) is (2-cyclopentyloxy-6-fluorophenyl)thiourea.
What is the SMILES notation for (2-cyclopentyloxy-6-fluorophenyl)thiourea?
The canonical SMILES for (2-cyclopentyloxy-6-fluorophenyl)thiourea is NC(=S)Nc1c(F)cccc1OC1CCCC1.
What is the InChIKey of (2-cyclopentyloxy-6-fluorophenyl)thiourea?
The InChIKey is YAQJXCGXBOKEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2OS/c13-9-6-3-7-10(11(9)15-12(14)17)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H3,14,15,17).
What are the key properties of (2-cyclopentyloxy-6-fluorophenyl)thiourea?
(2-cyclopentyloxy-6-fluorophenyl)thiourea has a molecular weight of 254.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentyloxy-6-fluorophenyl)thiourea is sourced from PubChem (CID 169358948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).