1-(3,5-difluorophenyl)-3-(3-methoxypropyl)thiourea

C11H14F2N2OS — CID 17272351

IUPAC1-(3,5-difluorophenyl)-3-(3-methoxypropyl)thiourea
SMILESCOCCCNC(=S)Nc1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2N2OS/c1-16-4-2-3-14-11(17)15-10-6-8(12)5-9(13)7-10/h5-7H,2-4H2,1H3,(H2,14,15,17)
InChIKeySIDIJQBSLFSGDY-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.29
Rot. Bonds5

About 1-(3,5-difluorophenyl)-3-(3-methoxypropyl)thiourea

1-(3,5-difluorophenyl)-3-(3-methoxypropyl)thiourea (PubChem CID 17272351) has the molecular formula C11H14F2N2OS and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(3-methoxypropyl)thiourea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(3-methoxypropyl)thiourea
PubChem CID17272351
Molecular FormulaC11H14F2N2OS
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name1-(3,5-difluorophenyl)-3-(3-methoxypropyl)thiourea
SMILESCOCCCNC(=S)Nc1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2N2OS/c1-16-4-2-3-14-11(17)15-10-6-8(12)5-9(13)7-10/h5-7H,2-4H2,1H3,(H2,14,15,17)
InChIKeySIDIJQBSLFSGDY-UHFFFAOYSA-N
XLogP2.29
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.29
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-(3,4-dimethoxyphenyl)-3-(3-methoxypropyl)thiourea
CID 2725123
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(3-methoxypropyl)thiourea
CID 115573724
2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide
CID 60702097
1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxypropyl)thiourea
CID 19344076
1-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8658308
1-(3-methoxypropyl)-3-pyrimidin-2-ylthiourea
CID 94830952
1-(3,5-difluorophenyl)-3-[2-(4-methylphenyl)sulfanylethyl]thiourea
CID 17272333
1-(3-methoxypropyl)-3-(4-nitrophenyl)thiourea
CID 8624584
1-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-methoxypropyl)thiourea
CID 43076575
3-[(4-fluorobenzoyl)carbamothioylamino]-N-(3-methoxypropyl)benzamide
CID 26160748
1-[2-(4-chlorophenyl)sulfanylethyl]-3-(3,5-difluorophenyl)thiourea
CID 17272332
1-benzyl-3-(3-methoxypropyl)thiourea
CID 19649292

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(3-methoxypropyl)thiourea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(3-methoxypropyl)thiourea (CID 17272351) is 1-(3,5-difluorophenyl)-3-(3-methoxypropyl)thiourea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(3-methoxypropyl)thiourea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(3-methoxypropyl)thiourea is COCCCNC(=S)Nc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(3-methoxypropyl)thiourea?
The InChIKey is SIDIJQBSLFSGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2OS/c1-16-4-2-3-14-11(17)15-10-6-8(12)5-9(13)7-10/h5-7H,2-4H2,1H3,(H2,14,15,17).
What are the key properties of 1-(3,5-difluorophenyl)-3-(3-methoxypropyl)thiourea?
1-(3,5-difluorophenyl)-3-(3-methoxypropyl)thiourea has a molecular weight of 260.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-(3-methoxypropyl)thiourea is sourced from PubChem (CID 17272351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).