1-(naphthalen-1-ylmethyl)-3-propylthiourea

C15H18N2S — CID 115596938

IUPAC1-(naphthalen-1-ylmethyl)-3-propylthiourea
SMILESCCCNC(=S)NCc1cccc2ccccc12
InChIInChI=1S/C15H18N2S/c1-2-10-16-15(18)17-11-13-8-5-7-12-6-3-4-9-14(12)13/h3-9H,2,10-11H2,1H3,(H2,16,17,18)
InChIKeyVSYLGXHVJLUMPL-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.21
Rot. Bonds4

About 1-(naphthalen-1-ylmethyl)-3-propylthiourea

1-(naphthalen-1-ylmethyl)-3-propylthiourea (PubChem CID 115596938) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-3-propylthiourea.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-3-propylthiourea
PubChem CID115596938
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name1-(naphthalen-1-ylmethyl)-3-propylthiourea
SMILESCCCNC(=S)NCc1cccc2ccccc12
InChIInChI=1S/C15H18N2S/c1-2-10-16-15(18)17-11-13-8-5-7-12-6-3-4-9-14(12)13/h3-9H,2,10-11H2,1H3,(H2,16,17,18)
InChIKeyVSYLGXHVJLUMPL-UHFFFAOYSA-N
XLogP3.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.21
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-benzyl-3-propylthiourea
CID 12725927
1-(naphthalen-1-ylmethyl)-3-propan-2-ylthiourea
CID 115596941
1-(naphthalen-1-ylmethyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 5170710
1-(naphthalen-1-ylmethyl)-3-(pyridin-3-ylmethyl)thiourea
CID 23822085
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
4-(naphthalen-1-ylmethyl)-N-propylpiperazine-1-carbothioamide
CID 9097497
1-(1,3-benzodioxol-4-ylmethyl)-3-propylthiourea
CID 75416671
1-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-propylthiourea
CID 43076925
1-[(3-fluorophenyl)methyl]-3-propylthiourea
CID 115579624
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
1-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-(naphthalen-1-ylmethyl)thiourea
CID 11683150
1-propyl-3-[(4-propylphenyl)methyl]thiourea
CID 154931628

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-3-propylthiourea?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-3-propylthiourea (CID 115596938) is 1-(naphthalen-1-ylmethyl)-3-propylthiourea.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-3-propylthiourea?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-3-propylthiourea is CCCNC(=S)NCc1cccc2ccccc12.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-3-propylthiourea?
The InChIKey is VSYLGXHVJLUMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-2-10-16-15(18)17-11-13-8-5-7-12-6-3-4-9-14(12)13/h3-9H,2,10-11H2,1H3,(H2,16,17,18).
What are the key properties of 1-(naphthalen-1-ylmethyl)-3-propylthiourea?
1-(naphthalen-1-ylmethyl)-3-propylthiourea has a molecular weight of 258.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-3-propylthiourea is sourced from PubChem (CID 115596938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).