1-[1-(furan-2-yl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]thiourea

C17H17F3N2OS — CID 100769202

IUPAC1-[1-(furan-2-yl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]thiourea
SMILESFC(F)(F)c1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1
InChIInChI=1S/C17H17F3N2OS/c18-17(19,20)12-5-7-13(8-6-12)21-15(24)22-16(9-1-2-10-16)14-4-3-11-23-14/h3-8,11H,1-2,9-10H2,(H2,21,22,24)
InChIKeyLOMSWBFFLYEDCK-UHFFFAOYSA-N
MW354.40 g/mol
LogP5.05
Rot. Bonds3

About 1-[1-(furan-2-yl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]thiourea

1-[1-(furan-2-yl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]thiourea (PubChem CID 100769202) has the molecular formula C17H17F3N2OS and a molecular weight of 354.40 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]thiourea.

Molecular Properties

Compound Name1-[1-(furan-2-yl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]thiourea
PubChem CID100769202
Molecular FormulaC17H17F3N2OS
Molecular Weight354.40 g/mol
Exact Mass354.10
IUPAC Name1-[1-(furan-2-yl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]thiourea
SMILESFC(F)(F)c1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1
InChIInChI=1S/C17H17F3N2OS/c18-17(19,20)12-5-7-13(8-6-12)21-15(24)22-16(9-1-2-10-16)14-4-3-11-23-14/h3-8,11H,1-2,9-10H2,(H2,21,22,24)
InChIKeyLOMSWBFFLYEDCK-UHFFFAOYSA-N
XLogP5.05
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.40
LogP ≤ 55.05
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-[4-(cyanomethyl)phenyl]-3-[1-(furan-2-yl)cyclopentyl]thiourea
CID 100767625
1-(3-bromophenyl)-3-[1-(furan-2-yl)cyclopentyl]thiourea
CID 100765827
1-[3-(trifluoromethyl)phenyl]-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea
CID 100766675
1-[1-[1-(phenylcarbamothioylamino)cyclopropyl]cyclopropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 162576341
1-(3-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea
CID 100768081
1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]thiourea
CID 5053889
1-(4-bromophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100765866
1-(4-chlorophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100765608
1-(6-methyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]thiourea
CID 17312668
1-(2-fluorophenyl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea
CID 100767019
1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100766125
1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
CID 100764726

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]thiourea?
The IUPAC name of 1-[1-(furan-2-yl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]thiourea (CID 100769202) is 1-[1-(furan-2-yl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]thiourea.
What is the SMILES notation for 1-[1-(furan-2-yl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]thiourea?
The canonical SMILES for 1-[1-(furan-2-yl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]thiourea is FC(F)(F)c1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1.
What is the InChIKey of 1-[1-(furan-2-yl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]thiourea?
The InChIKey is LOMSWBFFLYEDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2OS/c18-17(19,20)12-5-7-13(8-6-12)21-15(24)22-16(9-1-2-10-16)14-4-3-11-23-14/h3-8,11H,1-2,9-10H2,(H2,21,22,24).
What are the key properties of 1-[1-(furan-2-yl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]thiourea?
1-[1-(furan-2-yl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]thiourea has a molecular weight of 354.40 g/mol, XLogP of 5.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]thiourea is sourced from PubChem (CID 100769202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).