1-phenyl-3-(1-pyridin-2-ylcyclopentyl)thiourea

C17H19N3S — CID 100764504

IUPAC1-phenyl-3-(1-pyridin-2-ylcyclopentyl)thiourea
SMILESS=C(Nc1ccccc1)NC1(c2ccccn2)CCCC1
InChIInChI=1S/C17H19N3S/c21-16(19-14-8-2-1-3-9-14)20-17(11-5-6-12-17)15-10-4-7-13-18-15/h1-4,7-10,13H,5-6,11-12H2,(H2,19,20,21)
InChIKeyJAKHOQQBLIYEPO-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.84
Rot. Bonds3

About 1-phenyl-3-(1-pyridin-2-ylcyclopentyl)thiourea

1-phenyl-3-(1-pyridin-2-ylcyclopentyl)thiourea (PubChem CID 100764504) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 1-phenyl-3-(1-pyridin-2-ylcyclopentyl)thiourea.

Molecular Properties

Compound Name1-phenyl-3-(1-pyridin-2-ylcyclopentyl)thiourea
PubChem CID100764504
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name1-phenyl-3-(1-pyridin-2-ylcyclopentyl)thiourea
SMILESS=C(Nc1ccccc1)NC1(c2ccccn2)CCCC1
InChIInChI=1S/C17H19N3S/c21-16(19-14-8-2-1-3-9-14)20-17(11-5-6-12-17)15-10-4-7-13-18-15/h1-4,7-10,13H,5-6,11-12H2,(H2,19,20,21)
InChIKeyJAKHOQQBLIYEPO-UHFFFAOYSA-N
XLogP3.84
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.84
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-bromophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100765866
1-(4-chlorophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100765608
1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100766125
1-[4-(phenylsulfanylmethyl)phenyl]-3-(1-pyridin-4-ylcyclopentyl)thiourea
CID 100768255
1-(3-methoxyphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea
CID 100766059
1-phenyl-3-(pyridin-2-ylmethyl)thiourea
CID 737300
1-[1-(3-methylphenyl)cyclopentyl]-3-pyridin-3-ylthiourea
CID 100772383
1-(3,5-dimethylphenyl)-3-(1-pyridin-4-ylcyclopentyl)thiourea
CID 100765080
1-(4-methylphenyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
CID 100764726
1-(3-methylphenyl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
CID 100764603
1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-phenylurea
CID 139535233
1-(2-fluorophenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100766996

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(1-pyridin-2-ylcyclopentyl)thiourea?
The IUPAC name of 1-phenyl-3-(1-pyridin-2-ylcyclopentyl)thiourea (CID 100764504) is 1-phenyl-3-(1-pyridin-2-ylcyclopentyl)thiourea.
What is the SMILES notation for 1-phenyl-3-(1-pyridin-2-ylcyclopentyl)thiourea?
The canonical SMILES for 1-phenyl-3-(1-pyridin-2-ylcyclopentyl)thiourea is S=C(Nc1ccccc1)NC1(c2ccccn2)CCCC1.
What is the InChIKey of 1-phenyl-3-(1-pyridin-2-ylcyclopentyl)thiourea?
The InChIKey is JAKHOQQBLIYEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c21-16(19-14-8-2-1-3-9-14)20-17(11-5-6-12-17)15-10-4-7-13-18-15/h1-4,7-10,13H,5-6,11-12H2,(H2,19,20,21).
What are the key properties of 1-phenyl-3-(1-pyridin-2-ylcyclopentyl)thiourea?
1-phenyl-3-(1-pyridin-2-ylcyclopentyl)thiourea has a molecular weight of 297.43 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1-pyridin-2-ylcyclopentyl)thiourea is sourced from PubChem (CID 100764504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).