1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea

C17H20N2OS — CID 19711809

IUPAC1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea
SMILESCOCCCNC(=S)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C17H20N2OS/c1-20-13-7-12-18-17(21)19-16-11-6-5-10-15(16)14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3,(H2,18,19,21)
InChIKeyFLZMYCNAWIJIDQ-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.68
Rot. Bonds6

About 1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea

1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea (PubChem CID 19711809) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea
PubChem CID19711809
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea
SMILESCOCCCNC(=S)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C17H20N2OS/c1-20-13-7-12-18-17(21)19-16-11-6-5-10-15(16)14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3,(H2,18,19,21)
InChIKeyFLZMYCNAWIJIDQ-UHFFFAOYSA-N
XLogP3.68
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea
CID 102846832
1-benzyl-3-(3-methoxypropyl)thiourea
CID 19649292
1-(2-methylpropyl)-3-(2-phenylphenyl)thiourea
CID 19711806
1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea
CID 2253001
N-(2-methoxyethyl)-2-phenylaniline
CID 28569408
1-(3-methoxypropyl)-3-pyrimidin-2-ylthiourea
CID 94830952
1-(3-methoxypropyl)-3-(4-methyl-3-pyridinyl)thiourea
CID 115612153
methyl 2-(3-methoxypropylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate
CID 19652138
1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea
CID 115579636
1-(naphthalen-1-ylmethyl)-3-(2-phenylphenyl)thiourea
CID 3783998
N-(3-methoxypropyl)-N'-phenyloxamide
CID 3437698
1-(2,3-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8669095

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea?
The IUPAC name of 1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea (CID 19711809) is 1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea?
The canonical SMILES for 1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea is COCCCNC(=S)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea?
The InChIKey is FLZMYCNAWIJIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-20-13-7-12-18-17(21)19-16-11-6-5-10-15(16)14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3,(H2,18,19,21).
What are the key properties of 1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea?
1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea has a molecular weight of 300.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea is sourced from PubChem (CID 19711809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).