1-(cyclopropylmethyl)-3-(2-fluorophenyl)-1-propylthiourea

C14H19FN2S — CID 714647

IUPAC1-(cyclopropylmethyl)-3-(2-fluorophenyl)-1-propylthiourea
SMILESCCCN(CC1CC1)C(=S)Nc1ccccc1F
InChIInChI=1S/C14H19FN2S/c1-2-9-17(10-11-7-8-11)14(18)16-13-6-4-3-5-12(13)15/h3-6,11H,2,7-10H2,1H3,(H,16,18)
InChIKeyPSVXOFIJBYQNRL-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.64
Rot. Bonds5

About 1-(cyclopropylmethyl)-3-(2-fluorophenyl)-1-propylthiourea

1-(cyclopropylmethyl)-3-(2-fluorophenyl)-1-propylthiourea (PubChem CID 714647) has the molecular formula C14H19FN2S and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(2-fluorophenyl)-1-propylthiourea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(2-fluorophenyl)-1-propylthiourea
PubChem CID714647
Molecular FormulaC14H19FN2S
Molecular Weight266.38 g/mol
Exact Mass266.13
IUPAC Name1-(cyclopropylmethyl)-3-(2-fluorophenyl)-1-propylthiourea
SMILESCCCN(CC1CC1)C(=S)Nc1ccccc1F
InChIInChI=1S/C14H19FN2S/c1-2-9-17(10-11-7-8-11)14(18)16-13-6-4-3-5-12(13)15/h3-6,11H,2,7-10H2,1H3,(H,16,18)
InChIKeyPSVXOFIJBYQNRL-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(2-fluorophenyl)-1-propylthiourea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(2-fluorophenyl)-1-propylthiourea (CID 714647) is 1-(cyclopropylmethyl)-3-(2-fluorophenyl)-1-propylthiourea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(2-fluorophenyl)-1-propylthiourea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(2-fluorophenyl)-1-propylthiourea is CCCN(CC1CC1)C(=S)Nc1ccccc1F.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(2-fluorophenyl)-1-propylthiourea?
The InChIKey is PSVXOFIJBYQNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2S/c1-2-9-17(10-11-7-8-11)14(18)16-13-6-4-3-5-12(13)15/h3-6,11H,2,7-10H2,1H3,(H,16,18).
What are the key properties of 1-(cyclopropylmethyl)-3-(2-fluorophenyl)-1-propylthiourea?
1-(cyclopropylmethyl)-3-(2-fluorophenyl)-1-propylthiourea has a molecular weight of 266.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(2-fluorophenyl)-1-propylthiourea is sourced from PubChem (CID 714647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).