1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea

C16H20N2O2S — CID 100756038

IUPAC1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea
SMILESCCOc1ccccc1NC(=S)NCCCc1ccco1
InChIInChI=1S/C16H20N2O2S/c1-2-19-15-10-4-3-9-14(15)18-16(21)17-11-5-7-13-8-6-12-20-13/h3-4,6,8-10,12H,2,5,7,11H2,1H3,(H2,17,18,21)
InChIKeyKNRGCPHSIONDJP-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.60
Rot. Bonds7

About 1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea

1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea (PubChem CID 100756038) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea
PubChem CID100756038
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea
SMILESCCOc1ccccc1NC(=S)NCCCc1ccco1
InChIInChI=1S/C16H20N2O2S/c1-2-19-15-10-4-3-9-14(15)18-16(21)17-11-5-7-13-8-6-12-20-13/h3-4,6,8-10,12H,2,5,7,11H2,1H3,(H2,17,18,21)
InChIKeyKNRGCPHSIONDJP-UHFFFAOYSA-N
XLogP3.60
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.60
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-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea
CID 100756080
1-decyl-3-(2-ethoxyphenyl)thiourea
CID 19651220
1-dodecyl-3-(2-ethoxyphenyl)thiourea
CID 19651397
1-(furan-2-ylmethyl)-3-(2-propoxyphenyl)thiourea
CID 8683725
N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
CID 1226907
1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-ethoxyphenyl)thiourea
CID 100703277
1-(2,5-dimethylphenyl)-3-[3-(furan-2-yl)propyl]thiourea
CID 100755959
1-[3-(2-ethoxyphenyl)propyl]-3-(2-fluorophenyl)thiourea
CID 100614954
3-(2-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-[(4-methylphenyl)methyl]thiourea
CID 5170461
1-[3-(furan-2-yl)propyl]-3-pyridin-4-ylthiourea
CID 100756414
N'-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809908
1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea
CID 113218414

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea (CID 100756038) is 1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea is CCOc1ccccc1NC(=S)NCCCc1ccco1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea?
The InChIKey is KNRGCPHSIONDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-2-19-15-10-4-3-9-14(15)18-16(21)17-11-5-7-13-8-6-12-20-13/h3-4,6,8-10,12H,2,5,7,11H2,1H3,(H2,17,18,21).
What are the key properties of 1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea?
1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea has a molecular weight of 304.42 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea is sourced from PubChem (CID 100756038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).