1-(4-bromophenyl)-3-(1-phenylcyclopentyl)thiourea

C18H19BrN2S — CID 100765866

IUPAC1-(4-bromophenyl)-3-(1-phenylcyclopentyl)thiourea
SMILESS=C(Nc1ccc(Br)cc1)NC1(c2ccccc2)CCCC1
InChIInChI=1S/C18H19BrN2S/c19-15-8-10-16(11-9-15)20-17(22)21-18(12-4-5-13-18)14-6-2-1-3-7-14/h1-3,6-11H,4-5,12-13H2,(H2,20,21,22)
InChIKeyWSNBGOYPQSWKJR-UHFFFAOYSA-N
MW375.34 g/mol
LogP5.20
Rot. Bonds3

About 1-(4-bromophenyl)-3-(1-phenylcyclopentyl)thiourea

1-(4-bromophenyl)-3-(1-phenylcyclopentyl)thiourea (PubChem CID 100765866) has the molecular formula C18H19BrN2S and a molecular weight of 375.34 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(1-phenylcyclopentyl)thiourea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(1-phenylcyclopentyl)thiourea
PubChem CID100765866
Molecular FormulaC18H19BrN2S
Molecular Weight375.34 g/mol
Exact Mass374.05
IUPAC Name1-(4-bromophenyl)-3-(1-phenylcyclopentyl)thiourea
SMILESS=C(Nc1ccc(Br)cc1)NC1(c2ccccc2)CCCC1
InChIInChI=1S/C18H19BrN2S/c19-15-8-10-16(11-9-15)20-17(22)21-18(12-4-5-13-18)14-6-2-1-3-7-14/h1-3,6-11H,4-5,12-13H2,(H2,20,21,22)
InChIKeyWSNBGOYPQSWKJR-UHFFFAOYSA-N
XLogP5.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.34
LogP ≤ 55.20
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-(4-chlorophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100765608
1-(4-bromophenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
CID 100765878
1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100766125
1-(4-bromophenyl)-3-(1-methylcyclohexyl)thiourea
CID 100765991
1-(2-fluorophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100766996
1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
CID 100764726
1-[4-(phenylsulfanylmethyl)phenyl]-3-(1-pyridin-4-ylcyclopentyl)thiourea
CID 100768255
1-phenyl-3-(1-pyridin-2-ylcyclopentyl)thiourea
CID 100764504
1-(3-methylphenyl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
CID 100764603
1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea
CID 100765643
1-(3,5-dimethylphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea
CID 100765080
1-(4-ethylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea
CID 100766912

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(1-phenylcyclopentyl)thiourea?
The IUPAC name of 1-(4-bromophenyl)-3-(1-phenylcyclopentyl)thiourea (CID 100765866) is 1-(4-bromophenyl)-3-(1-phenylcyclopentyl)thiourea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(1-phenylcyclopentyl)thiourea?
The canonical SMILES for 1-(4-bromophenyl)-3-(1-phenylcyclopentyl)thiourea is S=C(Nc1ccc(Br)cc1)NC1(c2ccccc2)CCCC1.
What is the InChIKey of 1-(4-bromophenyl)-3-(1-phenylcyclopentyl)thiourea?
The InChIKey is WSNBGOYPQSWKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2S/c19-15-8-10-16(11-9-15)20-17(22)21-18(12-4-5-13-18)14-6-2-1-3-7-14/h1-3,6-11H,4-5,12-13H2,(H2,20,21,22).
What are the key properties of 1-(4-bromophenyl)-3-(1-phenylcyclopentyl)thiourea?
1-(4-bromophenyl)-3-(1-phenylcyclopentyl)thiourea has a molecular weight of 375.34 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(1-phenylcyclopentyl)thiourea is sourced from PubChem (CID 100765866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).