1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea

C14H22N2S — CID 19675086

IUPAC1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea
SMILESCCCNC(=S)NC(C)c1ccc(CC)cc1
InChIInChI=1S/C14H22N2S/c1-4-10-15-14(17)16-11(3)13-8-6-12(5-2)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H2,15,16,17)
InChIKeySBRGDNVYJSKKQC-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.18
Rot. Bonds5

About 1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea

1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea (PubChem CID 19675086) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea
PubChem CID19675086
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea
SMILESCCCNC(=S)NC(C)c1ccc(CC)cc1
InChIInChI=1S/C14H22N2S/c1-4-10-15-14(17)16-11(3)13-8-6-12(5-2)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H2,15,16,17)
InChIKeySBRGDNVYJSKKQC-UHFFFAOYSA-N
XLogP3.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.18
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-[(1S)-1-(4-bromophenyl)ethyl]-3-propylthiourea
CID 8677112
1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea
CID 94828358
1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea
CID 19675096
1-[(1S)-1-(4-bromophenyl)ethyl]-3-butylthiourea
CID 8677045
1-[1-(4-bromophenyl)ethyl]-3-butylthiourea
CID 78751867
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
1-butyl-3-[(1R)-1-(4-phenylphenyl)ethyl]thiourea
CID 7943701
1-[1-(2-chlorophenyl)ethyl]-3-propylthiourea
CID 115570565
1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 17284156
1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea
CID 17284516
1-[1-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)thiourea
CID 19675054
1-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)ethyl]thiourea
CID 12622951

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea?
The IUPAC name of 1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea (CID 19675086) is 1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea.
What is the SMILES notation for 1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea?
The canonical SMILES for 1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea is CCCNC(=S)NC(C)c1ccc(CC)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea?
The InChIKey is SBRGDNVYJSKKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-4-10-15-14(17)16-11(3)13-8-6-12(5-2)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea?
1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea has a molecular weight of 250.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea is sourced from PubChem (CID 19675086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).