1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylphenyl)thiourea

C16H20N2O2S — CID 8563922

IUPAC1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)NCCCOCc1ccco1
InChIInChI=1S/C16H20N2O2S/c1-13-6-2-3-8-15(13)18-16(21)17-9-5-10-19-12-14-7-4-11-20-14/h2-4,6-8,11H,5,9-10,12H2,1H3,(H2,17,18,21)
InChIKeyYDKNTZJFBCHCOQ-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.48
Rot. Bonds7

About 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylphenyl)thiourea

1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylphenyl)thiourea (PubChem CID 8563922) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylphenyl)thiourea
PubChem CID8563922
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)NCCCOCc1ccco1
InChIInChI=1S/C16H20N2O2S/c1-13-6-2-3-8-15(13)18-16(21)17-9-5-10-19-12-14-7-4-11-20-14/h2-4,6-8,11H,5,9-10,12H2,1H3,(H2,17,18,21)
InChIKeyYDKNTZJFBCHCOQ-UHFFFAOYSA-N
XLogP3.48
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chloro-5-nitrophenyl)-3-[3-(furan-2-ylmethoxy)propyl]thiourea
CID 8563965
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea
CID 24528840
1-(2,5-dimethylphenyl)-3-[3-(furan-2-yl)propyl]thiourea
CID 100755959
1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea
CID 2253001
1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea
CID 113218414
1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea
CID 100756038
N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide
CID 51296855
1-(2-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea
CID 100756080
1-[2-(2-fluorophenoxy)ethyl]-3-(2-methylphenyl)thiourea
CID 8680475
N'-(2-cyclopentyloxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide
CID 87039475
4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496827
N-[4-[[3-(furan-2-ylmethoxy)propylamino]methyl]phenyl]acetamide
CID 17451443

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylphenyl)thiourea (CID 8563922) is 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylphenyl)thiourea is Cc1ccccc1NC(=S)NCCCOCc1ccco1.
What is the InChIKey of 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylphenyl)thiourea?
The InChIKey is YDKNTZJFBCHCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-13-6-2-3-8-15(13)18-16(21)17-9-5-10-19-12-14-7-4-11-20-14/h2-4,6-8,11H,5,9-10,12H2,1H3,(H2,17,18,21).
What are the key properties of 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylphenyl)thiourea?
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylphenyl)thiourea has a molecular weight of 304.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 8563922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).