1-(furan-2-ylmethyl)-3-(2-propoxyphenyl)thiourea

C15H18N2O2S — CID 8683725

IUPAC1-(furan-2-ylmethyl)-3-(2-propoxyphenyl)thiourea
SMILESCCCOc1ccccc1NC(=S)NCc1ccco1
InChIInChI=1S/C15H18N2O2S/c1-2-9-19-14-8-4-3-7-13(14)17-15(20)16-11-12-6-5-10-18-12/h3-8,10H,2,9,11H2,1H3,(H2,16,17,20)
InChIKeyFBRHVKKABUNWNZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.56
Rot. Bonds6

About 1-(furan-2-ylmethyl)-3-(2-propoxyphenyl)thiourea

1-(furan-2-ylmethyl)-3-(2-propoxyphenyl)thiourea (PubChem CID 8683725) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(2-propoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(2-propoxyphenyl)thiourea
PubChem CID8683725
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-(furan-2-ylmethyl)-3-(2-propoxyphenyl)thiourea
SMILESCCCOc1ccccc1NC(=S)NCc1ccco1
InChIInChI=1S/C15H18N2O2S/c1-2-9-19-14-8-4-3-7-13(14)17-15(20)16-11-12-6-5-10-18-12/h3-8,10H,2,9,11H2,1H3,(H2,16,17,20)
InChIKeyFBRHVKKABUNWNZ-UHFFFAOYSA-N
XLogP3.56
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea
CID 100756038
3-(furan-2-yl)-N-(2-propoxyphenyl)propanamide
CID 78772786
N-(furan-2-ylmethyl)-2-propoxybenzamide
CID 4947937
1-(3-chloro-2-methylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 2826690
N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
CID 1226907
1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea
CID 7944393
1-(furan-2-ylmethyl)-3-(8-methoxyquinolin-5-yl)thiourea
CID 100592474
1-(3-morpholin-4-ium-4-ylpropyl)-3-(2-propoxyphenyl)thiourea
CID 8683726
1-[(3,5-dimethylphenyl)methyl]-3-(2-ethoxyphenyl)thiourea
CID 3837590
N'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54810139
1-(5-chloro-2-phenoxyphenyl)-3-(furan-2-ylmethyl)thiourea
CID 17312760
1-(furan-2-ylmethyl)-3-undecylthiourea
CID 19651324

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(2-propoxyphenyl)thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(2-propoxyphenyl)thiourea (CID 8683725) is 1-(furan-2-ylmethyl)-3-(2-propoxyphenyl)thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(2-propoxyphenyl)thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(2-propoxyphenyl)thiourea is CCCOc1ccccc1NC(=S)NCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(2-propoxyphenyl)thiourea?
The InChIKey is FBRHVKKABUNWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-9-19-14-8-4-3-7-13(14)17-15(20)16-11-12-6-5-10-18-12/h3-8,10H,2,9,11H2,1H3,(H2,16,17,20).
What are the key properties of 1-(furan-2-ylmethyl)-3-(2-propoxyphenyl)thiourea?
1-(furan-2-ylmethyl)-3-(2-propoxyphenyl)thiourea has a molecular weight of 290.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(2-propoxyphenyl)thiourea is sourced from PubChem (CID 8683725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).