1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea

C16H20N2OS — CID 17385332

IUPAC1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea
SMILESCCCNC(=S)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C16H20N2OS/c1-2-10-17-16(20)18(13-15-9-6-11-19-15)12-14-7-4-3-5-8-14/h3-9,11H,2,10,12-13H2,1H3,(H,17,20)
InChIKeyZIAWTPNTDSDADC-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.57
Rot. Bonds6

About 1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea

1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea (PubChem CID 17385332) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea.

Molecular Properties

Compound Name1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea
PubChem CID17385332
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea
SMILESCCCNC(=S)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C16H20N2OS/c1-2-10-17-16(20)18(13-15-9-6-11-19-15)12-14-7-4-3-5-8-14/h3-9,11H,2,10,12-13H2,1H3,(H,17,20)
InChIKeyZIAWTPNTDSDADC-UHFFFAOYSA-N
XLogP3.57
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-dibenzyl-3-butylthiourea
CID 3522415
1-[(4-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-3-methylthiourea
CID 17369190
1-benzyl-1-(furan-2-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17065741
N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534
N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 37429112
1-ethyl-1-(furan-2-ylmethyl)-3-(2-methylpropyl)thiourea
CID 115580733
N-benzyl-2-[ethylcarbamoyl(propyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4606428
1-benzyl-1-(2-cyanoethyl)-3-(furan-2-ylmethyl)thiourea
CID 74226869
3-(furan-2-ylmethyl)-1,1-dipropylthiourea
CID 19653033
N-(dibenzylcarbamothioyl)-N-methylfuran-2-carboxamide
CID 101020572
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901
N-benzyl-N-(furan-2-ylmethyl)-2-(methylamino)acetamide;hydrochloride
CID 120703561

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea?
The IUPAC name of 1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea (CID 17385332) is 1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea.
What is the SMILES notation for 1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea?
The canonical SMILES for 1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea is CCCNC(=S)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of 1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea?
The InChIKey is ZIAWTPNTDSDADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-2-10-17-16(20)18(13-15-9-6-11-19-15)12-14-7-4-3-5-8-14/h3-9,11H,2,10,12-13H2,1H3,(H,17,20).
What are the key properties of 1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea?
1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea has a molecular weight of 288.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea is sourced from PubChem (CID 17385332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).