3-naphthalen-1-yl-1,1-dipropylthiourea

C17H22N2S — CID 19653014

IUPAC3-naphthalen-1-yl-1,1-dipropylthiourea
SMILESCCCN(CCC)C(=S)Nc1cccc2ccccc12
InChIInChI=1S/C17H22N2S/c1-3-12-19(13-4-2)17(20)18-16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,3-4,12-13H2,1-2H3,(H,18,20)
InChIKeyUCWANDIROBBOKY-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.66
Rot. Bonds5

About 3-naphthalen-1-yl-1,1-dipropylthiourea

3-naphthalen-1-yl-1,1-dipropylthiourea (PubChem CID 19653014) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-naphthalen-1-yl-1,1-dipropylthiourea.

Molecular Properties

Compound Name3-naphthalen-1-yl-1,1-dipropylthiourea
PubChem CID19653014
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name3-naphthalen-1-yl-1,1-dipropylthiourea
SMILESCCCN(CCC)C(=S)Nc1cccc2ccccc12
InChIInChI=1S/C17H22N2S/c1-3-12-19(13-4-2)17(20)18-16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,3-4,12-13H2,1-2H3,(H,18,20)
InChIKeyUCWANDIROBBOKY-UHFFFAOYSA-N
XLogP4.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-2-methylphenyl)-1,1-dipropylthiourea
CID 17379704
1-(2-methoxyethyl)-3-naphthalen-1-yl-1-propylurea
CID 3823639
1-methyl-1-[(1R,2R)-2-[methyl(naphthalen-1-ylcarbamothioyl)amino]-1,2-diphenylethyl]-3-naphthalen-1-ylthiourea
CID 102094189
N-(naphthalen-1-ylcarbamothioyl)butanamide
CID 916625
1,1-dibutyl-3-(2-methylphenyl)thiourea
CID 19653127
1-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-naphthalen-1-ylthiourea
CID 19452294
1-ethyl-3-(2-methylphenyl)-1-naphthalen-1-ylthiourea
CID 23934124
3-(2-chlorophenyl)-1-ethyl-1-naphthalen-1-ylthiourea
CID 23826628
1-naphthalen-1-yl-3-phenylthiourea
CID 828128
4-methyl-N-naphthalen-1-ylpiperazine-1-carbothioamide
CID 19653802
1-[(2-ethylpyrazol-3-yl)methyl]-1-methyl-3-naphthalen-1-ylthiourea
CID 19464733
1-(cyclopropylmethyl)-3-(2-phenylphenyl)-1-propylthiourea
CID 3820363

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-1,1-dipropylthiourea?
The IUPAC name of 3-naphthalen-1-yl-1,1-dipropylthiourea (CID 19653014) is 3-naphthalen-1-yl-1,1-dipropylthiourea.
What is the SMILES notation for 3-naphthalen-1-yl-1,1-dipropylthiourea?
The canonical SMILES for 3-naphthalen-1-yl-1,1-dipropylthiourea is CCCN(CCC)C(=S)Nc1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-yl-1,1-dipropylthiourea?
The InChIKey is UCWANDIROBBOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-3-12-19(13-4-2)17(20)18-16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,3-4,12-13H2,1-2H3,(H,18,20).
What are the key properties of 3-naphthalen-1-yl-1,1-dipropylthiourea?
3-naphthalen-1-yl-1,1-dipropylthiourea has a molecular weight of 286.44 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-1,1-dipropylthiourea is sourced from PubChem (CID 19653014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).