1-(2-fluorophenyl)-3-(1-phenylcyclopentyl)thiourea

C18H19FN2S — CID 100766996

IUPAC1-(2-fluorophenyl)-3-(1-phenylcyclopentyl)thiourea
SMILESFc1ccccc1NC(=S)NC1(c2ccccc2)CCCC1
InChIInChI=1S/C18H19FN2S/c19-15-10-4-5-11-16(15)20-17(22)21-18(12-6-7-13-18)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2,(H2,20,21,22)
InChIKeyISBXEDOVJYTDCA-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.58
Rot. Bonds3

About 1-(2-fluorophenyl)-3-(1-phenylcyclopentyl)thiourea

1-(2-fluorophenyl)-3-(1-phenylcyclopentyl)thiourea (PubChem CID 100766996) has the molecular formula C18H19FN2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(1-phenylcyclopentyl)thiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(1-phenylcyclopentyl)thiourea
PubChem CID100766996
Molecular FormulaC18H19FN2S
Molecular Weight314.43 g/mol
Exact Mass314.13
IUPAC Name1-(2-fluorophenyl)-3-(1-phenylcyclopentyl)thiourea
SMILESFc1ccccc1NC(=S)NC1(c2ccccc2)CCCC1
InChIInChI=1S/C18H19FN2S/c19-15-10-4-5-11-16(15)20-17(22)21-18(12-6-7-13-18)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2,(H2,20,21,22)
InChIKeyISBXEDOVJYTDCA-UHFFFAOYSA-N
XLogP4.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea
CID 100767019
1-(4-chlorophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100765608
1-(4-bromophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100765866
1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100766125
1-(2,6-difluorophenyl)-3-(1-pyridin-3-ylcyclopentyl)thiourea
CID 100769368
1-(2-fluorophenyl)-3-piperidin-1-ylthiourea
CID 8624603
N-(1-phenylcyclooctyl)hydroxylamine
CID 163440623
1-(1-carbamothioylcyclopentyl)-3-(2-fluorophenyl)urea
CID 61122214
2-chloro-6-fluoro-N-(1-phenylcyclopentyl)benzamide
CID 110445807
1-(3-chloro-4-fluorophenyl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
CID 100768468
1-[3-(trifluoromethyl)phenyl]-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea
CID 100766675
1-(1H-imidazol-2-yl)-3-(1-phenylcyclopropyl)thiourea
CID 57148461

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(1-phenylcyclopentyl)thiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-(1-phenylcyclopentyl)thiourea (CID 100766996) is 1-(2-fluorophenyl)-3-(1-phenylcyclopentyl)thiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(1-phenylcyclopentyl)thiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(1-phenylcyclopentyl)thiourea is Fc1ccccc1NC(=S)NC1(c2ccccc2)CCCC1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(1-phenylcyclopentyl)thiourea?
The InChIKey is ISBXEDOVJYTDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2S/c19-15-10-4-5-11-16(15)20-17(22)21-18(12-6-7-13-18)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2,(H2,20,21,22).
What are the key properties of 1-(2-fluorophenyl)-3-(1-phenylcyclopentyl)thiourea?
1-(2-fluorophenyl)-3-(1-phenylcyclopentyl)thiourea has a molecular weight of 314.43 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(1-phenylcyclopentyl)thiourea is sourced from PubChem (CID 100766996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).