1-cyclopentyl-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]thiourea

C19H20F2N2S — CID 3369865

IUPAC1-cyclopentyl-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]thiourea
SMILESFc1ccc(CN(C(=S)Nc2ccc(F)cc2)C2CCCC2)cc1
InChIInChI=1S/C19H20F2N2S/c20-15-7-5-14(6-8-15)13-23(18-3-1-2-4-18)19(24)22-17-11-9-16(21)10-12-17/h5-12,18H,1-4,13H2,(H,22,24)
InChIKeyCVGWSBFTMOTYKS-UHFFFAOYSA-N
MW346.45 g/mol
LogP5.11
Rot. Bonds4

About 1-cyclopentyl-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]thiourea

1-cyclopentyl-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]thiourea (PubChem CID 3369865) has the molecular formula C19H20F2N2S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]thiourea
PubChem CID3369865
Molecular FormulaC19H20F2N2S
Molecular Weight346.45 g/mol
Exact Mass346.13
IUPAC Name1-cyclopentyl-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]thiourea
SMILESFc1ccc(CN(C(=S)Nc2ccc(F)cc2)C2CCCC2)cc1
InChIInChI=1S/C19H20F2N2S/c20-15-7-5-14(6-8-15)13-23(18-3-1-2-4-18)19(24)22-17-11-9-16(21)10-12-17/h5-12,18H,1-4,13H2,(H,22,24)
InChIKeyCVGWSBFTMOTYKS-UHFFFAOYSA-N
XLogP5.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.45
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-1-[(4-fluorophenyl)methyl]-3-methylthiourea
CID 3417353
3-(4-chlorophenyl)-1-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]thiourea
CID 9283855
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide
CID 119688726
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 30938797
1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 54944714
3-(4-fluorophenyl)-1-[(1R,2R)-2-hydroxycyclohexyl]-1-methylthiourea
CID 100641512
(2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide
CID 8834579
1-cyclopentyl-3-(4-fluorophenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiourea
CID 6498524
N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide
CID 9356254
1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(4-phenylphenyl)thiourea
CID 3478591
N-[2-(2-chlorophenyl)ethyl]-2-[[cyclohexyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]acetamide
CID 46371665
1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea
CID 63766530

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]thiourea?
The IUPAC name of 1-cyclopentyl-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]thiourea (CID 3369865) is 1-cyclopentyl-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]thiourea?
The canonical SMILES for 1-cyclopentyl-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]thiourea is Fc1ccc(CN(C(=S)Nc2ccc(F)cc2)C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]thiourea?
The InChIKey is CVGWSBFTMOTYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2S/c20-15-7-5-14(6-8-15)13-23(18-3-1-2-4-18)19(24)22-17-11-9-16(21)10-12-17/h5-12,18H,1-4,13H2,(H,22,24).
What are the key properties of 1-cyclopentyl-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]thiourea?
1-cyclopentyl-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]thiourea has a molecular weight of 346.45 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]thiourea is sourced from PubChem (CID 3369865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).