1-cyclopentyl-3-(3,3-diphenylpropyl)thiourea

C21H26N2S — CID 892266

IUPAC1-cyclopentyl-3-(3,3-diphenylpropyl)thiourea
SMILESS=C(NCCC(c1ccccc1)c1ccccc1)NC1CCCC1
InChIInChI=1S/C21H26N2S/c24-21(23-19-13-7-8-14-19)22-16-15-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2,(H2,22,23,24)
InChIKeyQTQYTXDHDSRLIW-UHFFFAOYSA-N
MW338.52 g/mol
LogP4.62
Rot. Bonds6

About 1-cyclopentyl-3-(3,3-diphenylpropyl)thiourea

1-cyclopentyl-3-(3,3-diphenylpropyl)thiourea (PubChem CID 892266) has the molecular formula C21H26N2S and a molecular weight of 338.52 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3,3-diphenylpropyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(3,3-diphenylpropyl)thiourea
PubChem CID892266
Molecular FormulaC21H26N2S
Molecular Weight338.52 g/mol
Exact Mass338.18
IUPAC Name1-cyclopentyl-3-(3,3-diphenylpropyl)thiourea
SMILESS=C(NCCC(c1ccccc1)c1ccccc1)NC1CCCC1
InChIInChI=1S/C21H26N2S/c24-21(23-19-13-7-8-14-19)22-16-15-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2,(H2,22,23,24)
InChIKeyQTQYTXDHDSRLIW-UHFFFAOYSA-N
XLogP4.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.62
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-cyclododecyl-3-(2-phenylethyl)thiourea
CID 17298455
1-cyclohexyl-3-[3-[(1S)-1-phenylethoxy]propyl]thiourea
CID 8559793
1-cyclopentyl-3-(2,2-diphenylethyl)urea
CID 38287341
1-cyclopentyl-3-(2-phenylsulfanylethylcarbamothioylamino)thiourea
CID 9094657
1-cyclohexyl-3-(1-phenylethyl)thiourea
CID 2788079
1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea
CID 724020
1-cyclohexyl-3-(1-phenylpropyl)thiourea
CID 17281987
1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea
CID 121112417
1-cycloheptyl-3-[4-(cyclohexylcarbamothioylamino)butyl]thiourea
CID 131972404
1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea
CID 116507643
1-(3-amino-3-phenylpropyl)-3-cyclohexylurea
CID 80506800
1-cyclohexyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]thiourea
CID 12902608

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3,3-diphenylpropyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(3,3-diphenylpropyl)thiourea (CID 892266) is 1-cyclopentyl-3-(3,3-diphenylpropyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(3,3-diphenylpropyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(3,3-diphenylpropyl)thiourea is S=C(NCCC(c1ccccc1)c1ccccc1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(3,3-diphenylpropyl)thiourea?
The InChIKey is QTQYTXDHDSRLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2S/c24-21(23-19-13-7-8-14-19)22-16-15-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2,(H2,22,23,24).
What are the key properties of 1-cyclopentyl-3-(3,3-diphenylpropyl)thiourea?
1-cyclopentyl-3-(3,3-diphenylpropyl)thiourea has a molecular weight of 338.52 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3,3-diphenylpropyl)thiourea is sourced from PubChem (CID 892266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).