1-cyclopentyl-3-(4-prop-2-enoxyphenyl)thiourea

C15H20N2OS — CID 100582894

IUPAC1-cyclopentyl-3-(4-prop-2-enoxyphenyl)thiourea
SMILESC=CCOc1ccc(NC(=S)NC2CCCC2)cc1
InChIInChI=1S/C15H20N2OS/c1-2-11-18-14-9-7-13(8-10-14)17-15(19)16-12-5-3-4-6-12/h2,7-10,12H,1,3-6,11H2,(H2,16,17,19)
InChIKeyRZRTUSNCWRDZSW-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.48
Rot. Bonds5

About 1-cyclopentyl-3-(4-prop-2-enoxyphenyl)thiourea

1-cyclopentyl-3-(4-prop-2-enoxyphenyl)thiourea (PubChem CID 100582894) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-prop-2-enoxyphenyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-prop-2-enoxyphenyl)thiourea
PubChem CID100582894
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-cyclopentyl-3-(4-prop-2-enoxyphenyl)thiourea
SMILESC=CCOc1ccc(NC(=S)NC2CCCC2)cc1
InChIInChI=1S/C15H20N2OS/c1-2-11-18-14-9-7-13(8-10-14)17-15(19)16-12-5-3-4-6-12/h2,7-10,12H,1,3-6,11H2,(H2,16,17,19)
InChIKeyRZRTUSNCWRDZSW-UHFFFAOYSA-N
XLogP3.48
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylpiperidin-4-yl)-3-(4-prop-2-enoxyphenyl)thiourea
CID 100754975
1-cycloheptyl-3-(4-ethoxyphenyl)thiourea
CID 8627943
1-(4-prop-2-enoxyphenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 100642176
1-cyclopropyl-3-(3-prop-2-enoxyphenyl)thiourea
CID 47511985
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-prop-2-enoxyphenyl)thiourea
CID 125044895
1-(2-cyclohexylsulfanylethyl)-3-(4-prop-2-enoxyphenyl)thiourea
CID 100603032
3-cyclohexyl-N-[(4-prop-2-enoxyphenyl)carbamothioyl]propanamide
CID 4952642
1-(4-chlorophenyl)-3-cyclododecylthiourea
CID 17263329
1-cycloheptyl-3-phenylthiourea
CID 4085620
1-cyclohexyl-3-[(3-prop-2-enoxyphenyl)methylideneamino]thiourea
CID 4115891
1-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)thiourea
CID 100584082
1-cyclopentyl-3-pyridin-4-ylthiourea
CID 19655611

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-prop-2-enoxyphenyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(4-prop-2-enoxyphenyl)thiourea (CID 100582894) is 1-cyclopentyl-3-(4-prop-2-enoxyphenyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(4-prop-2-enoxyphenyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(4-prop-2-enoxyphenyl)thiourea is C=CCOc1ccc(NC(=S)NC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-(4-prop-2-enoxyphenyl)thiourea?
The InChIKey is RZRTUSNCWRDZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-11-18-14-9-7-13(8-10-14)17-15(19)16-12-5-3-4-6-12/h2,7-10,12H,1,3-6,11H2,(H2,16,17,19).
What are the key properties of 1-cyclopentyl-3-(4-prop-2-enoxyphenyl)thiourea?
1-cyclopentyl-3-(4-prop-2-enoxyphenyl)thiourea has a molecular weight of 276.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-prop-2-enoxyphenyl)thiourea is sourced from PubChem (CID 100582894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).