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

C13H14N2O2S — CID 694028

IUPAC1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)NCc1ccco1
InChIInChI=1S/C13H14N2O2S/c1-16-12-7-3-2-6-11(12)15-13(18)14-9-10-5-4-8-17-10/h2-8H,9H2,1H3,(H2,14,15,18)
InChIKeyQWSMHDHCWJOETE-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.77
Rot. Bonds4

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

1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)thiourea (PubChem CID 694028) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)thiourea
PubChem CID694028
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)NCc1ccco1
InChIInChI=1S/C13H14N2O2S/c1-16-12-7-3-2-6-11(12)15-13(18)14-9-10-5-4-8-17-10/h2-8H,9H2,1H3,(H2,14,15,18)
InChIKeyQWSMHDHCWJOETE-UHFFFAOYSA-N
XLogP2.77
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.77
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-Furfuryl-3-(4-nitrophenyl)urea
CID 239710
1-(Furan-2-ylmethyl)-3-(2-methylphenyl)thiourea
CID 694026
1-(4-Bromophenyl)-3-furfurylurea
CID 239940
1-Furfuryl-3-phenyl-2-thiourea
CID 689750
1-(2-Chlorophenyl)-3-(furan-2-ylmethyl)thiourea
CID 2796408
1-(Furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea
CID 71273628
5-(2-Furanylmethyl)tetrahydro-1-phenyl-1,3,5-triazine-2(1H)-thione
CID 754478
5-(2-Furylmethyl)-1-(4-methylphenyl)-1,3,5-triazinane-2-thione
CID 3546592
1-(4-Acetylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 863535
N-(4-chlorophenyl)-N'-(2-furylmethyl)thiourea
CID 841941
N-[(furan-2-yl)methyl]aniline
CID 57541
1-(3-Furan-2-yl-acryloyl)-3-(3-methoxy-phenyl)-thiourea
CID 776928

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)thiourea (CID 694028) is 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)thiourea is COc1ccccc1NC(=S)NCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)thiourea?
The InChIKey is QWSMHDHCWJOETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-16-12-7-3-2-6-11(12)15-13(18)14-9-10-5-4-8-17-10/h2-8H,9H2,1H3,(H2,14,15,18).
What are the key properties of 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)thiourea?
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)thiourea has a molecular weight of 262.33 g/mol, XLogP of 2.77, 4 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-methoxyphenyl)thiourea is sourced from PubChem (CID 694028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).