1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea

C14H20FN3S — CID 5178694

IUPAC1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea
SMILESFc1ccccc1NC(=S)NCCN1CCCCC1
InChIInChI=1S/C14H20FN3S/c15-12-6-2-3-7-13(12)17-14(19)16-8-11-18-9-4-1-5-10-18/h2-3,6-7H,1,4-5,8-11H2,(H2,16,17,19)
InChIKeyVXZQJZIZZSAQER-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.60
Rot. Bonds4

About 1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea

1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea (PubChem CID 5178694) has the molecular formula C14H20FN3S and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea
PubChem CID5178694
Molecular FormulaC14H20FN3S
Molecular Weight281.40 g/mol
Exact Mass281.14
IUPAC Name1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea
SMILESFc1ccccc1NC(=S)NCCN1CCCCC1
InChIInChI=1S/C14H20FN3S/c15-12-6-2-3-7-13(12)17-14(19)16-8-11-18-9-4-1-5-10-18/h2-3,6-7H,1,4-5,8-11H2,(H2,16,17,19)
InChIKeyVXZQJZIZZSAQER-UHFFFAOYSA-N
XLogP2.60
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.60
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-[3-(2-oxoazepan-1-yl)propyl]thiourea
CID 8727937
N-[2-(azepan-1-yl)ethyl]-2-fluoroaniline
CID 54807239
1-(2-fluorophenyl)-3-piperidin-1-ylthiourea
CID 8624603
1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea
CID 3002933
1-(2-fluorophenyl)-3-(2-phenylethyl)thiourea
CID 2298907
1-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-(2-fluorophenyl)thiourea
CID 100686060
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-fluorophenyl)thiourea
CID 8617762
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-fluorophenyl)thiourea
CID 10044752
1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea
CID 2907680
1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea
CID 2970670
1-(2-fluorophenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 7303712

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea (CID 5178694) is 1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea is Fc1ccccc1NC(=S)NCCN1CCCCC1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea?
The InChIKey is VXZQJZIZZSAQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3S/c15-12-6-2-3-7-13(12)17-14(19)16-8-11-18-9-4-1-5-10-18/h2-3,6-7H,1,4-5,8-11H2,(H2,16,17,19).
What are the key properties of 1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea?
1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea has a molecular weight of 281.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea is sourced from PubChem (CID 5178694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).