1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea

C14H20N2S — CID 19675096

IUPAC1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea
SMILESCCc1ccc(C(C)NC(=S)NC2CC2)cc1
InChIInChI=1S/C14H20N2S/c1-3-11-4-6-12(7-5-11)10(2)15-14(17)16-13-8-9-13/h4-7,10,13H,3,8-9H2,1-2H3,(H2,15,16,17)
InChIKeyIBSFWYIQIBCUQP-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.94
Rot. Bonds4

About 1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea

1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea (PubChem CID 19675096) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea
PubChem CID19675096
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea
SMILESCCc1ccc(C(C)NC(=S)NC2CC2)cc1
InChIInChI=1S/C14H20N2S/c1-3-11-4-6-12(7-5-11)10(2)15-14(17)16-13-8-9-13/h4-7,10,13H,3,8-9H2,1-2H3,(H2,15,16,17)
InChIKeyIBSFWYIQIBCUQP-UHFFFAOYSA-N
XLogP2.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.94
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-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 47128258
1-cyclopropyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
CID 19675013
1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea
CID 19675086
1-cyclohexyl-3-(1-phenylethyl)thiourea
CID 2788079
1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea
CID 724020
1-cyclopentyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
CID 19675012
3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 25469562
3-(cyclohexylcarbamoylamino)-N-[(1R)-1-(4-ethylphenyl)ethyl]propanamide
CID 25469560
1-[1-(4-butan-2-ylphenyl)propyl]-3-cyclohexylthiourea
CID 19675584
1-[1-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)thiourea
CID 19675054
1-(4-ethylphenyl)-3-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]thiourea
CID 100725293
1-(1,3-benzodioxol-5-yl)-3-[1-(4-ethylphenyl)ethyl]thiourea
CID 19675076

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea (CID 19675096) is 1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea is CCc1ccc(C(C)NC(=S)NC2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea?
The InChIKey is IBSFWYIQIBCUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-3-11-4-6-12(7-5-11)10(2)15-14(17)16-13-8-9-13/h4-7,10,13H,3,8-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea?
1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea has a molecular weight of 248.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea is sourced from PubChem (CID 19675096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).