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

C19H19N3O2S — CID 4098194

IUPAC1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea
SMILESCOc1ccccc1NC(=S)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C19H19N3O2S/c1-23-18-9-3-2-8-17(18)21-19(25)22(14-16-7-5-11-24-16)13-15-6-4-10-20-12-15/h2-12H,13-14H2,1H3,(H,21,25)
InChIKeyYFPKGAHFRLMIEV-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.08
Rot. Bonds6

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

1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea (PubChem CID 4098194) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea
PubChem CID4098194
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea
SMILESCOc1ccccc1NC(=S)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C19H19N3O2S/c1-23-18-9-3-2-8-17(18)21-19(25)22(14-16-7-5-11-24-16)13-15-6-4-10-20-12-15/h2-12H,13-14H2,1H3,(H,21,25)
InChIKeyYFPKGAHFRLMIEV-UHFFFAOYSA-N
XLogP4.08
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea (CID 4098194) is 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea is COc1ccccc1NC(=S)N(Cc1cccnc1)Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea?
The InChIKey is YFPKGAHFRLMIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-23-18-9-3-2-8-17(18)21-19(25)22(14-16-7-5-11-24-16)13-15-6-4-10-20-12-15/h2-12H,13-14H2,1H3,(H,21,25).
What are the key properties of 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea?
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea has a molecular weight of 353.45 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea is sourced from PubChem (CID 4098194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).