1-[2-(2,4-dimethoxyphenyl)ethyl]-3-(3-ethyl-2-pyridinyl)thiourea

C18H23N3O2S — CID 19703519

IUPAC1-[2-(2,4-dimethoxyphenyl)ethyl]-3-(3-ethyl-2-pyridinyl)thiourea
SMILESCCc1cccnc1NC(=S)NCCc1ccc(OC)cc1OC
InChIInChI=1S/C18H23N3O2S/c1-4-13-6-5-10-19-17(13)21-18(24)20-11-9-14-7-8-15(22-2)12-16(14)23-3/h5-8,10,12H,4,9,11H2,1-3H3,(H2,19,20,21,24)
InChIKeySVKHSOZYWPDTRA-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.19
Rot. Bonds7

About 1-[2-(2,4-dimethoxyphenyl)ethyl]-3-(3-ethyl-2-pyridinyl)thiourea

1-[2-(2,4-dimethoxyphenyl)ethyl]-3-(3-ethyl-2-pyridinyl)thiourea (PubChem CID 19703519) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[2-(2,4-dimethoxyphenyl)ethyl]-3-(3-ethyl-2-pyridinyl)thiourea.

Molecular Properties

Compound Name1-[2-(2,4-dimethoxyphenyl)ethyl]-3-(3-ethyl-2-pyridinyl)thiourea
PubChem CID19703519
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-[2-(2,4-dimethoxyphenyl)ethyl]-3-(3-ethyl-2-pyridinyl)thiourea
SMILESCCc1cccnc1NC(=S)NCCc1ccc(OC)cc1OC
InChIInChI=1S/C18H23N3O2S/c1-4-13-6-5-10-19-17(13)21-18(24)20-11-9-14-7-8-15(22-2)12-16(14)23-3/h5-8,10,12H,4,9,11H2,1-3H3,(H2,19,20,21,24)
InChIKeySVKHSOZYWPDTRA-UHFFFAOYSA-N
XLogP3.19
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea
CID 19703423
1-(3-bromo-2-pyridinyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 19703420
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 110408765
1-(3-bromo-2-pyridinyl)-3-[2-(3-methoxyphenyl)ethyl]thiourea
CID 19703444
1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 17298438
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-pyridinyl)thiourea
CID 19685990
1-(4-ethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 8658273
1-(2,4-dimethoxyphenyl)-3-[3-(2-ethoxyphenyl)propyl]thiourea
CID 100614857
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
1-(3-chloro-2-pyridinyl)-3-[2-(2,6-dimethoxyphenyl)ethyl]thiourea
CID 19703713
1-(3-methoxy-2-pyridinyl)-3-(3-naphthalen-1-ylpropyl)thiourea
CID 100757431

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethoxyphenyl)ethyl]-3-(3-ethyl-2-pyridinyl)thiourea?
The IUPAC name of 1-[2-(2,4-dimethoxyphenyl)ethyl]-3-(3-ethyl-2-pyridinyl)thiourea (CID 19703519) is 1-[2-(2,4-dimethoxyphenyl)ethyl]-3-(3-ethyl-2-pyridinyl)thiourea.
What is the SMILES notation for 1-[2-(2,4-dimethoxyphenyl)ethyl]-3-(3-ethyl-2-pyridinyl)thiourea?
The canonical SMILES for 1-[2-(2,4-dimethoxyphenyl)ethyl]-3-(3-ethyl-2-pyridinyl)thiourea is CCc1cccnc1NC(=S)NCCc1ccc(OC)cc1OC.
What is the InChIKey of 1-[2-(2,4-dimethoxyphenyl)ethyl]-3-(3-ethyl-2-pyridinyl)thiourea?
The InChIKey is SVKHSOZYWPDTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-4-13-6-5-10-19-17(13)21-18(24)20-11-9-14-7-8-15(22-2)12-16(14)23-3/h5-8,10,12H,4,9,11H2,1-3H3,(H2,19,20,21,24).
What are the key properties of 1-[2-(2,4-dimethoxyphenyl)ethyl]-3-(3-ethyl-2-pyridinyl)thiourea?
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-(3-ethyl-2-pyridinyl)thiourea has a molecular weight of 345.47 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethoxyphenyl)ethyl]-3-(3-ethyl-2-pyridinyl)thiourea is sourced from PubChem (CID 19703519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).