1-(1-cyclopropylcyclopentyl)-3-(4-fluorophenyl)thiourea

C15H19FN2S — CID 100767239

IUPAC1-(1-cyclopropylcyclopentyl)-3-(4-fluorophenyl)thiourea
SMILESFc1ccc(NC(=S)NC2(C3CC3)CCCC2)cc1
InChIInChI=1S/C15H19FN2S/c16-12-5-7-13(8-6-12)17-14(19)18-15(11-3-4-11)9-1-2-10-15/h5-8,11H,1-4,9-10H2,(H2,17,18,19)
InChIKeyBIKNBILZWQXYBS-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.83
Rot. Bonds3

About 1-(1-cyclopropylcyclopentyl)-3-(4-fluorophenyl)thiourea

1-(1-cyclopropylcyclopentyl)-3-(4-fluorophenyl)thiourea (PubChem CID 100767239) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(1-cyclopropylcyclopentyl)-3-(4-fluorophenyl)thiourea.

Molecular Properties

Compound Name1-(1-cyclopropylcyclopentyl)-3-(4-fluorophenyl)thiourea
PubChem CID100767239
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name1-(1-cyclopropylcyclopentyl)-3-(4-fluorophenyl)thiourea
SMILESFc1ccc(NC(=S)NC2(C3CC3)CCCC2)cc1
InChIInChI=1S/C15H19FN2S/c16-12-5-7-13(8-6-12)17-14(19)18-15(11-3-4-11)9-1-2-10-15/h5-8,11H,1-4,9-10H2,(H2,17,18,19)
InChIKeyBIKNBILZWQXYBS-UHFFFAOYSA-N
XLogP3.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.83
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-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-3-(4-fluorophenyl)thiourea
CID 914747
1-(cyclopentanecarbonylamino)-3-(4-fluorophenyl)thiourea
CID 9469539
methyl 3-[(1-cyclopropylcyclopentyl)carbamothioylamino]-4-methylbenzoate
CID 100768420
1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-(4-fluorophenyl)thiourea
CID 11922926
1-(bicyclo[4.1.0]heptane-7-carbonylamino)-3-(4-fluorophenyl)thiourea
CID 3839475
1-(4-fluorophenyl)-3-[4-[[4-[(4-fluorophenyl)carbamothioylamino]cyclohexyl]methyl]cyclohexyl]thiourea
CID 4137701
1-(4-fluorophenyl)-3-[3-[(4-fluorophenyl)carbamothioylamino]phenyl]thiourea
CID 3450278
1-(4-bromophenyl)-3-(1-methylcyclohexyl)thiourea
CID 100765991
1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(4-fluorophenyl)thiourea
CID 8762593
3-(4-fluorophenyl)-1-[(1R,2R)-2-hydroxycyclohexyl]-1-methylthiourea
CID 100641512
1-(4-fluorophenyl)-3-[[2-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-2-oxoacetyl]amino]thiourea
CID 18270236
1-(carbamothioylamino)-3-(4-fluorophenyl)thiourea
CID 681193

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylcyclopentyl)-3-(4-fluorophenyl)thiourea?
The IUPAC name of 1-(1-cyclopropylcyclopentyl)-3-(4-fluorophenyl)thiourea (CID 100767239) is 1-(1-cyclopropylcyclopentyl)-3-(4-fluorophenyl)thiourea.
What is the SMILES notation for 1-(1-cyclopropylcyclopentyl)-3-(4-fluorophenyl)thiourea?
The canonical SMILES for 1-(1-cyclopropylcyclopentyl)-3-(4-fluorophenyl)thiourea is Fc1ccc(NC(=S)NC2(C3CC3)CCCC2)cc1.
What is the InChIKey of 1-(1-cyclopropylcyclopentyl)-3-(4-fluorophenyl)thiourea?
The InChIKey is BIKNBILZWQXYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c16-12-5-7-13(8-6-12)17-14(19)18-15(11-3-4-11)9-1-2-10-15/h5-8,11H,1-4,9-10H2,(H2,17,18,19).
What are the key properties of 1-(1-cyclopropylcyclopentyl)-3-(4-fluorophenyl)thiourea?
1-(1-cyclopropylcyclopentyl)-3-(4-fluorophenyl)thiourea has a molecular weight of 278.40 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylcyclopentyl)-3-(4-fluorophenyl)thiourea is sourced from PubChem (CID 100767239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).