1-cyclopentyl-3-(2-phenoxyphenyl)thiourea

C18H20N2OS — CID 971568

IUPAC1-cyclopentyl-3-(2-phenoxyphenyl)thiourea
SMILESS=C(Nc1ccccc1Oc1ccccc1)NC1CCCC1
InChIInChI=1S/C18H20N2OS/c22-18(19-14-8-4-5-9-14)20-16-12-6-7-13-17(16)21-15-10-2-1-3-11-15/h1-3,6-7,10-14H,4-5,8-9H2,(H2,19,20,22)
InChIKeyDKAXCXMOXXOTKQ-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.71
Rot. Bonds4

About 1-cyclopentyl-3-(2-phenoxyphenyl)thiourea

1-cyclopentyl-3-(2-phenoxyphenyl)thiourea (PubChem CID 971568) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-phenoxyphenyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-phenoxyphenyl)thiourea
PubChem CID971568
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name1-cyclopentyl-3-(2-phenoxyphenyl)thiourea
SMILESS=C(Nc1ccccc1Oc1ccccc1)NC1CCCC1
InChIInChI=1S/C18H20N2OS/c22-18(19-14-8-4-5-9-14)20-16-12-6-7-13-17(16)21-15-10-2-1-3-11-15/h1-3,6-7,10-14H,4-5,8-9H2,(H2,19,20,22)
InChIKeyDKAXCXMOXXOTKQ-UHFFFAOYSA-N
XLogP4.71
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.71
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-cyclopropyl-3-[2-(4-ethoxyphenoxy)phenyl]thiourea
CID 7944422
1-cycloheptyl-3-(2-ethoxyphenyl)thiourea
CID 19650473
1-cyclododecyl-3-(2-methylphenyl)thiourea
CID 19652468
1-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]thiourea
CID 113219617
1-cyclopropyl-3-(3-phenoxyphenyl)thiourea
CID 115570462
1-cycloheptyl-3-phenylthiourea
CID 4085620
N-(cyclopentylcarbamoyl)-2-(2-phenoxyanilino)acetamide
CID 17404437
1-cyclooctyl-3-(2,4-dimethoxyphenyl)thiourea
CID 19650524
1-(2-phenoxyphenyl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 17300035
2-(cyclopropylcarbamoylamino)-N-(2-phenoxyphenyl)acetamide
CID 113000974
N-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide
CID 109250437
N-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide
CID 109112427

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-phenoxyphenyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(2-phenoxyphenyl)thiourea (CID 971568) is 1-cyclopentyl-3-(2-phenoxyphenyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(2-phenoxyphenyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(2-phenoxyphenyl)thiourea is S=C(Nc1ccccc1Oc1ccccc1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2-phenoxyphenyl)thiourea?
The InChIKey is DKAXCXMOXXOTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c22-18(19-14-8-4-5-9-14)20-16-12-6-7-13-17(16)21-15-10-2-1-3-11-15/h1-3,6-7,10-14H,4-5,8-9H2,(H2,19,20,22).
What are the key properties of 1-cyclopentyl-3-(2-phenoxyphenyl)thiourea?
1-cyclopentyl-3-(2-phenoxyphenyl)thiourea has a molecular weight of 312.44 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-phenoxyphenyl)thiourea is sourced from PubChem (CID 971568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).