1-(2-fluorophenyl)-3-piperidin-1-ylthiourea

C12H16FN3S — CID 8624603

IUPAC1-(2-fluorophenyl)-3-piperidin-1-ylthiourea
SMILESFc1ccccc1NC(=S)NN1CCCCC1
InChIInChI=1S/C12H16FN3S/c13-10-6-2-3-7-11(10)14-12(17)15-16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-9H2,(H2,14,15,17)
InChIKeyTZBUSILSEBEOMY-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.51
Rot. Bonds2

About 1-(2-fluorophenyl)-3-piperidin-1-ylthiourea

1-(2-fluorophenyl)-3-piperidin-1-ylthiourea (PubChem CID 8624603) has the molecular formula C12H16FN3S and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-piperidin-1-ylthiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-piperidin-1-ylthiourea
PubChem CID8624603
Molecular FormulaC12H16FN3S
Molecular Weight253.35 g/mol
Exact Mass253.10
IUPAC Name1-(2-fluorophenyl)-3-piperidin-1-ylthiourea
SMILESFc1ccccc1NC(=S)NN1CCCCC1
InChIInChI=1S/C12H16FN3S/c13-10-6-2-3-7-11(10)14-12(17)15-16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-9H2,(H2,14,15,17)
InChIKeyTZBUSILSEBEOMY-UHFFFAOYSA-N
XLogP2.51
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.51
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

1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea
CID 5178694
1-(2-fluorophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100766996
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)thiourea
CID 4841872
1-(2-fluorophenyl)-3-[3-(2-oxoazepan-1-yl)propyl]thiourea
CID 8727937
N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942414
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
1-(2-fluorophenyl)-3-(4-morpholin-4-ylphenyl)thiourea
CID 8625478
N-(2-fluorophenyl)morpholine-4-carbothioamide
CID 709147
N-(2-fluorophenyl)piperazine-1-carbothioamide
CID 82292486
1-(2-tert-butylphenyl)-3-(2-fluorophenyl)thiourea
CID 4662222
1-(2-fluorophenyl)-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea
CID 8500283
N-[(2-fluorophenyl)carbamoyl]-2-piperidin-1-ylacetamide
CID 8894654

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-piperidin-1-ylthiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-piperidin-1-ylthiourea (CID 8624603) is 1-(2-fluorophenyl)-3-piperidin-1-ylthiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-piperidin-1-ylthiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-piperidin-1-ylthiourea is Fc1ccccc1NC(=S)NN1CCCCC1.
What is the InChIKey of 1-(2-fluorophenyl)-3-piperidin-1-ylthiourea?
The InChIKey is TZBUSILSEBEOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3S/c13-10-6-2-3-7-11(10)14-12(17)15-16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-9H2,(H2,14,15,17).
What are the key properties of 1-(2-fluorophenyl)-3-piperidin-1-ylthiourea?
1-(2-fluorophenyl)-3-piperidin-1-ylthiourea has a molecular weight of 253.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-piperidin-1-ylthiourea is sourced from PubChem (CID 8624603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).