1-[2-(4-fluorophenyl)ethyl]-3-propylthiourea

C12H17FN2S — CID 19649747

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-propylthiourea
SMILESCCCNC(=S)NCCc1ccc(F)cc1
InChIInChI=1S/C12H17FN2S/c1-2-8-14-12(16)15-9-7-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3,(H2,14,15,16)
InChIKeyLFTHTJRGYJGVJL-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.24
Rot. Bonds5

About 1-[2-(4-fluorophenyl)ethyl]-3-propylthiourea

1-[2-(4-fluorophenyl)ethyl]-3-propylthiourea (PubChem CID 19649747) has the molecular formula C12H17FN2S and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-propylthiourea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-propylthiourea
PubChem CID19649747
Molecular FormulaC12H17FN2S
Molecular Weight240.35 g/mol
Exact Mass240.11
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-propylthiourea
SMILESCCCNC(=S)NCCc1ccc(F)cc1
InChIInChI=1S/C12H17FN2S/c1-2-8-14-12(16)15-9-7-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3,(H2,14,15,16)
InChIKeyLFTHTJRGYJGVJL-UHFFFAOYSA-N
XLogP2.24
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.24
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

4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
1-[2-(4-fluorophenyl)ethyl]-3-prop-2-enylthiourea
CID 4158579
1-propyl-3-[(4-propylphenyl)methyl]thiourea
CID 154931628
1-N-[2-(4-fluorophenyl)ethyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130460
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648420
6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-dicarboxamide
CID 109093462
1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 8618969
methyl 2-[2-(4-fluorophenyl)ethylamino]-2-oxoacetate
CID 112616592
1-(4-phenylbutyl)-3-propylthiourea
CID 19650176
1-[(3-fluorophenyl)methyl]-3-propylthiourea
CID 115579624
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-propylthiourea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-propylthiourea (CID 19649747) is 1-[2-(4-fluorophenyl)ethyl]-3-propylthiourea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-propylthiourea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-propylthiourea is CCCNC(=S)NCCc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-propylthiourea?
The InChIKey is LFTHTJRGYJGVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2S/c1-2-8-14-12(16)15-9-7-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3,(H2,14,15,16).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-propylthiourea?
1-[2-(4-fluorophenyl)ethyl]-3-propylthiourea has a molecular weight of 240.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-propylthiourea is sourced from PubChem (CID 19649747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).