3-(5-chloro-2-methoxyphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea

C19H18ClN3O2S — CID 4098274

IUPAC3-(5-chloro-2-methoxyphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea
SMILESCOc1ccc(Cl)cc1NC(=S)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C19H18ClN3O2S/c1-24-18-7-6-15(20)10-17(18)22-19(26)23(13-16-5-3-9-25-16)12-14-4-2-8-21-11-14/h2-11H,12-13H2,1H3,(H,22,26)
InChIKeyBMEZRTIQDGYGMR-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.74
Rot. Bonds6

About 3-(5-chloro-2-methoxyphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea

3-(5-chloro-2-methoxyphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea (PubChem CID 4098274) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea
PubChem CID4098274
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name3-(5-chloro-2-methoxyphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea
SMILESCOc1ccc(Cl)cc1NC(=S)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C19H18ClN3O2S/c1-24-18-7-6-15(20)10-17(18)22-19(26)23(13-16-5-3-9-25-16)12-14-4-2-8-21-11-14/h2-11H,12-13H2,1H3,(H,22,26)
InChIKeyBMEZRTIQDGYGMR-UHFFFAOYSA-N
XLogP4.74
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(5-chloro-2-methoxyphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea (CID 4098274) is 3-(5-chloro-2-methoxyphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea is COc1ccc(Cl)cc1NC(=S)N(Cc1cccnc1)Cc1ccco1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea?
The InChIKey is BMEZRTIQDGYGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-24-18-7-6-15(20)10-17(18)22-19(26)23(13-16-5-3-9-25-16)12-14-4-2-8-21-11-14/h2-11H,12-13H2,1H3,(H,22,26).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea?
3-(5-chloro-2-methoxyphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea has a molecular weight of 387.89 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea is sourced from PubChem (CID 4098274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).